In this thesis, we investigate the numerical solution of time-dependent nonlinear Schrödinger equations (more specifically, the Gross-Pitaevskii equation) that appear in the modeling of Bose-Einstein condensates. Since the model is known to conserve important physical invariants, such as mass and energy of the condensate, our goal is to study the importance of reproducing the conservation on the discrete level. The reliability of conservative, compared to non-conservative, methods shall be studied through high order collocation methods for the time discretization and finite element-based space discretizations. In particular, this includes symplectic discontinuous Galerkin time-stepping methods, as well as Continuous Petrov-Galerkin methods. The methods shall be tested for a problem with a known analytical solution, namely two interacting solitons in 1D. This problem is a suitable choice due to its high sensitivity to oscillations of the energy and difficulty to approximate for large time scales.

In this thesis we study a variety of problems in superfluid turbulence, princi-pally in two dimensions. A summary of the main results of our studies is given below; we indicate the Chapters in which we present these. In Chapter 1, we provide an overview of several problems in superfluid turbulence with special emphasis on background material for the problems we study in this thesis. In particular, we give: (a) a brief introduction of fluid turbulence; (b) an overview of superfluidity and the phenomenological two-fluid model; (c) a brief overview of experiments on superfluid turbulence; (d) an introductory accounts of the phenomenological models used in the study of superfluid turbulence. We end with a summary of the problems we study in subsequent Chapters of this thesis. In Chapter 2, we present a systematic, direct numerical simulation of the two-dimensional, Fourier-truncated, Gross-Pitaevskii equation to study the turbulent evolutions of its solutions for a variety of initial conditions and a wide range of parameters. We find that the time evolution of this system can be classified into four regimes with qualitatively different statistical properties. First, there are transients that depend on the initial conditions. In the second regime, power- law scaling regions, in the energy and the occupation-number spectra, appear and start to develop; the exponents of these power laws and the extents of the scaling regions change with time and depend on the initial condition. In the third regime, the spectra drop rapidly for modes with wave numbers k > kc and partial thermalization takes place for modes with k < kc ; the self-truncation wave number kc(t) depends on the initial conditions and it grows either as a power of t or as log t. Finally, in the fourth regime, complete thermalization is achieved and, if we account for finite-size effects carefully, correlation functions and spectra are consistent with their nontrivial Berezinskii-Kosterlitz-Thouless forms. Our work is a natural generalization of recent studies of thermalization in the Euler and other hydrodynamical equations; it combines ideas from fluid dynamics and turbulence, on the one hand, and equilibrium and nonequilibrium statistical mechanics on the other. In Chapter 3, we present the first calculation of the mutual-friction coefficients α and α (which are parameters in the Hall-Vinen-Bekharevich-Khalatnikov two-fluid model that we study in chapter 5) as a function of temperature in a homogeneous Bose gas in two-dimensions by using the Galerkin-truncated Gross-Pitaevskii equation, with very special initial conditions, which we obtain by using the advective, real, Ginzburg-Landau equation (ARGLE) and an equilibration procedure that uses a stochastic Ginzburg-Landau equation (SGLE). We also calculate the normal-fluid density as a function of temperature. In Chapter 4, we elucidate the interplay of particles and fields in superfluids, in both simple and turbulent flows. We carry out extensive direct numerical simulations (DNSs) of this interplay for the two-dimensional (2D) Gross-Pitaevskii (GP) equation. We obtain the following results: (1) the motion of a particle can be chaotic even if the superfluid shows no sign of turbulence; (2) vortex motion depends sensitively on particle charateristics; (3) there is an effective, superfluid-mediated, attractive interaction between particles; (4) we introduce a short-range repulsion between particles, with range rSR, and study two- and many-particle collisions; in the case of two-particle, head-on collisions, we find that, at low values of rSR, the particle collisions are inelastic with coefficient of restitution e = 0; and, as we in-crease rSR, e becomes nonzero at a critical point, and finally attains values close to 1; (5) assemblies of particles and vortices show rich, turbulent, spatio-temporal evolution. In Chapter 5, we present results from our direct numerical simulations (DNSs) of the Hall-Vinen-Bekharevich-Khalatnikov (HVBK) two-fluid model in two dimensions. We have designed these DNSs to study the statistical properties of inverse and forward cascades in the HVBK model. We obtain several interesting results that have not been anticipated hitherto: (1) Both normal-fluid and superfluid energy spectra, En(k) and Es(k), respectively, show inverse- and forward-cascade regimes; the former is characterized by a power law Es(k) En(k) kα whose exponent is consistent with α 5/3. (2) The forward-cascade power law depends on (a) the friction coefficient, as in 2D fluid turbulence, and, in addition, on (b) the coefficient B of mutual friction, which couples normal and superfluid compo-nents. (3) As B increases, the normal and superfluid velocities, un and us, re-spectively, get locked to each other, and, therefore, Es(k) En(k), especially in the inverse-cascade regime. (4) We quantify this locking tendency by calculating the probability distribution functions (PDFs) P(cos(θ)) and P(γ), where the angle θ ≡ (un • us)/( |un||us|) and the amplitude ratio γ = |un|/|us |; the former has a peak at cos(θ) = 1; and the latter exhibits a peak at γ = 1 and power-law tails on both sides of this peak. (4) This locking increases as we increase B, but the power-law exponents for the tails of P(γ) are universal, in so far as they do not depend on B, ρn/ρ, and the details of the energy-injection method. (5) We characterize the energy and enstrophy cascades by computing the energy and enstrophy fluxes and the mutual-friction transfer functions for all wave-number scales k. In Chapter 6, we examine the multiscaling of structure functions in three-dimensional superfluid turbulence by using a shell-model for the three-dimensional HVBK equations. Our HVBK shell model is based on the GOY shell model. In particular, we examine the dependence of multiscaling on the normal-fluid fraction and the mutual-friction coefficients. We hope our in silico studies of 2D and 3D superfluid turbulence will stimulate new experimental, numerical, and theoretical studies.

Targeted Energy Transfer is a resonance phenomenon in coupled anharmonic oscillators. In this thesis we investigate if the concept of Targeted Energy Transfer is applicable to Bose-Einsteain condensates in optical lattices. The model used to describe Bose-Einstein condensates in optical lattices is based on the Gross-Pitaevskii equation. Targeted Energy Transfer in these systems would correspond to energy being transferred from one lattice site to another. We also try to expand the concept of Targeted Energy Transfer to a system consisting of three sites, where one of the sites are considered a perturbation to the system. We have concluded that it is possible to achieve Targeted Energy Transfer in a three-site system. The set-up of the system will in some of the cases studied lead to interesting properties, such as more energy being transferred to the acceptor site than what was initially localized on the donor site.

The density amplitude of an isolated quantum vortex line in superfluid 4He is calculated using a generalized Gross-Pitaevskii (G-P) equation. The generalized G-P equation for the order parameter extends the usual mean-field approach by replacing the interatomic potential in the ordinary G-P equation by a local, static T matrix, which takes correlations between the particles into account. The T matrix is a sum of ladder diagrams appearing in a diagrammatic expansion of the mean field term in an exact equation for the order parameter. It is an effective interaction which is much softer than the realistic interatomic Morse dipole-dipole potential from which it is calculated. A numerical solution of the generalized G-P equation is required since it is a nonlinear integro-differential equation with infinite limits. For the energy denominator in the T matrix equation, a free-particle spectrum and the observed phonon-roton spectrum are each used. For the fraction of particles in the zero-momentum state (Bose-Einstein dondensate) which enters the equation, both a theoretical value of 0.1 and an experimental value of 0.024 are used. The chemical potential is adjusted so that the density as a function of distance from the vortex core approaches the bulk density asymptotically. Solutions of the generalized G-P equation are not very dependent on the choice of energy denominator or condensate fraction. The density profile is a monotonically increasing function of the distance from the vortex core. The core radius, defined to be the distance to half the bulk density, varies from 3.7 A to 4.7 A, which is over three times the experimental value of 1.14 A at absolute zero.

<p>L^p is supposed to be L with a superscript lower case 'p.'</p> / <p>This thesis investigates a 1-dimensional Gross-Pitaevskii (GP) equation from the viewpoint of a system of Hamiltonian partial differential equations (PDEs). A theorem on Birkhoff normal forms is a particularly important goal of this study. The resulting system is a perturbed system of a completely resonant system, which we analyze, using several forms of perturbation theory.</p> <p>In chapter two, we study estimates 011 integrals of products of four Hermite functions, which represent coefficients of mode coupling, and play an important role in the proof of the Birkhoff normal form theorem. This is a basic problem, which has a close relationship with a problem of Besicovitch, namely the behavior of the L^p norms of L² -normalized Hermite functions.</p> <p>In chapter three we carefully reconsider the linear Schrodinger equation with a harmonic potential, and we introduce a family of Hilbert spaces for studying the GP equation, which generalize the traditional energy spaces in which one works. One unexpected fact is that these function spaces have a close relationship with the former works for the tempered distributions, in particular the N-representation theory due to B. Simon, and V. Bargmann's theory, which uncovers relationship between the tempered distributions and his function spaces through the so-called Segal-Bargmann transformation. In addition, our function spaces have a nice relationship with the Sobolev spaces. In this chapter, a few other questions regarding these function spaces are discussed.</p> <p>In chapter four the proof of the Birkhoff normal form theorem on spaces we have introduced are provided. The analysis is divided into two cases according to the regularity of the related function space. After proving the Birkhoff normal form theorem, we made an analysis of the impact of the perturbation on the main part of the GP system, which we remark is completel:y resonant.</p> / Doctor of Philosophy (PhD)

<p>Ova doktorska teza se bavi proučavanjem i razvojem paralelnih<br />algoritama za transponovanje distribuiranih trodimenzionalnih<br />struktura podataka, kao i implementacijom ovih algoritama u okviru<br />C/OpenMP/MPI programske paradigme. Razvijena implementacija je<br />primenjena na rešavanje nelinearne parcijalne diferencijealne<br />jednačine Šredingerovog tipa (Gros-Pitaevski jednačina) korišćenjem<br />Krenk-Nikolson metoda, a u okviru teze je predstavljen ciklus razvoja<br />odgovarajućeg softvera, kao i rezultati testova validnosti i merenja<br />performansi dobijenih na računarskom klasteru.</p> / <p>This thesis studies and develops parallel algorithms for transposing<br />distributed three-dimensional data structures, and describes their technical<br />implementation in C/OpenMP/MPI programing paradigm. The developed<br />implementation is applied for solving of nonlinear partial differential equation<br />of the Schroedinger type (Gross-Pitaevskii equation) using Crank-Nicolson<br />method. The thesis presents the corresponding software development cycle,<br />as well as results of validity tests and performance measurements obtained<br />on a computer cluster.</p>

No presente trabalho, estudamos a possibilidade de se produzir um Condensado de Bose-Einstein em um estado excitado de um potencial confinante. Vimos que, com um campo externo oscilante, é possível transferir átomos do estado fundamental para um estado excitado qualquer. Se esse campo oscilar próximo da freqüência de transição entre os dois modos, é possível aproximar esse sistema para um de dois níveis. Analisando numericamente a evolução temporal das populações de cada nível, vimos que há oscilações de população do tipo Rabi. Estas oscilações variam de acordo com a forma espacial, a intensidade e com a dessintonia do campo aplicado. Vimos, também, que há a formação de franjas do tipo Ramsey, ao aplicarmos um campo oscilatório com dois pulsos separados. Além disso, definindo um parâmetro de ordem como sendo a diferença entre a média temporal da população de cada estado, é possível caracterizar um tipo de transição de fase no condensado. Estudamos como a forma do campo externo interfere na transição de fase, caracterizada pelo parâmetro de ordem. Obtemos também, um valor crítico do campo no qual ocorre essa transição. / In this work, we have studied the possibility of producing a Bose-Einstein Condensate in an excited state of a confining potential. We have seen that, with a oscillatory external field, it is possible to transfer atoms from the ground state to any excited state. If this field oscillates near the transition frequency between the two modes, it is possible to approximate that system to a two-level system. Analyzing numerically the temporal evolution of population of each level, we have seen there are Rabi-like oscillations of population. This oscillations vary according to the spacial shape, the intensity and the detuning of the applied field. We have also seen there is a Ramsey-like fringes formation, if we apply an oscillatory field with separate two pulses. Moreover, defining an order parameter as being a difference between the population time average of each level, it is possible to characterize a kind of phase transition in the condensate. We have studied how the shape of the external field interferes in the phase transition, characterized by the order parameter. We have also obtained a critical value for the field in which that transition occurs.

No presente trabalho, estudamos a possibilidade de se produzir um Condensado de Bose-Einstein em um estado excitado de um potencial confinante. Vimos que, com um campo externo oscilante, é possível transferir átomos do estado fundamental para um estado excitado qualquer. Se esse campo oscilar próximo da freqüência de transição entre os dois modos, é possível aproximar esse sistema para um de dois níveis. Analisando numericamente a evolução temporal das populações de cada nível, vimos que há oscilações de população do tipo Rabi. Estas oscilações variam de acordo com a forma espacial, a intensidade e com a dessintonia do campo aplicado. Vimos, também, que há a formação de franjas do tipo Ramsey, ao aplicarmos um campo oscilatório com dois pulsos separados. Além disso, definindo um parâmetro de ordem como sendo a diferença entre a média temporal da população de cada estado, é possível caracterizar um tipo de transição de fase no condensado. Estudamos como a forma do campo externo interfere na transição de fase, caracterizada pelo parâmetro de ordem. Obtemos também, um valor crítico do campo no qual ocorre essa transição. / In this work, we have studied the possibility of producing a Bose-Einstein Condensate in an excited state of a confining potential. We have seen that, with a oscillatory external field, it is possible to transfer atoms from the ground state to any excited state. If this field oscillates near the transition frequency between the two modes, it is possible to approximate that system to a two-level system. Analyzing numerically the temporal evolution of population of each level, we have seen there are Rabi-like oscillations of population. This oscillations vary according to the spacial shape, the intensity and the detuning of the applied field. We have also seen there is a Ramsey-like fringes formation, if we apply an oscillatory field with separate two pulses. Moreover, defining an order parameter as being a difference between the population time average of each level, it is possible to characterize a kind of phase transition in the condensate. We have studied how the shape of the external field interferes in the phase transition, characterized by the order parameter. We have also obtained a critical value for the field in which that transition occurs.

No presente trabalho foi estudada a dinâmica de um sistema de muitas partículas no regime de temperaturas ultra-baixas. Realizamos um estudo dinâmico de sistemas condensados bidimensionais em uma rede óptica não-linear em uma direção e também na presença de uma armadilha harmônica assimétrica. Investigamos alguns aspectos sobre a estabilização e propagação de sólitons em condensados de Bose-Einstein. O colapso da função de onda é evitado pela não-linearidade periódica dissipativa, no caso de um meio com campo de fundo positivo (com sistemas atômicos atrativos). A variação adiabática do comprimento de espalhamento de fundo leva a existência de sólitons de onda de matéria metaestáveis. Um sóliton dissipativo pode existir no meio atrativo bidimensional (2D) com uma não-linearidade periódica unidimensional (1D), quando um mecanismo de alimentação atômica é utilizado. Um sóliton estável pode existir no caso de condensados repulsivos, em um campo de fundo negativo, com uma armadilha harmônica em uma direção e uma rede óptica não-linear na outra direção. Os resultados inteiramente numéricos, para a equação de Gross-Pitaevskii 2D, confirmam as simulações da abordagem variacional. / In this work the dynamics of a system of many particles in a ultra-low temperature regime was studied. We performed a dynamic study of two-dimensional condensate systems into a nonlinear optical lattice in one direction and also in the presence of an asymmetrical harmonic trap. We investigated some aspects of the stabilization and spread of solitons in a Bose-Einstein condensate. In the case of positive background field media (with attractive atomic systems), the collapse of the wave-packet is arrested by the dissipative periodic nonlinearity. The adiabatic variation of the background scattering length leads to metastable matter-wave solitons. When the atom feeding mechanism is used, a dissipative soliton can exist in an attractive bidimensional (2D) media with unidimensional (1D) periodic nonlinearity. In the case of repulsive condensates, with a negative background field, a stable soliton may exist when we have an harmonic trap in one direction and a nonlinear optical lattice in the other. Variational approach simulations are confirmed by full numerical results for the 2D Gross-Pitaevskii equation.

Among the wide range of remarkable experimentson dilute Bose-Einstein condensates has been the observed dynamics of attractive condensatesexhibiting collapse and subsequent explosion. For attractive condensates the collapse occurs when the number of atoms N becomes higher than a critical value Nc. After a collapse, the number of atoms N in the condensate is reduced so that for N below Nc A stable configuration is attained. By increasing the number of atoms in the condensate up to the point where N>Nc a further collapse is induced and so on, this process may be repeated and a series of collapses may be observed.In this work we investigate analytically the behavior of the collapsing condensate within the framework of a nonlinear Gross-Pitaevskii equation, suitable to describe the dynamics of the order parameter Ψ(r, t ) of a Bose-Einstein condensatemagnetically trapped in a harmonic three-dimensional potential.Two and three-body inelastic collisions which remove atoms from the condensate are included.By using a variational approach based on d’Alembert ́s principle and suitable for non-conservative systems wefindananalyticalsolutionforacollapsingBose-Einsteincondensate.We demonstrate that a Gaussianansatzcapturesremarkablywellthesequenceofimplosionand explosionobservedinattractivecondensates. / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Entre o vasto leque de experiências notáveis em condensados de Bose-Einstein diluídos, foi observada a dinâmica de condensados atrativos exibindo colapso e subseqüente explosão. Para condensados atrativos, o colapso ocorre quando o número de átomos N torna-se maior que um valor crítico Nc'N>Nc. Após um colapso, o número de átomos no condensado é reduzido tal que, para N abaixo de Nc uma configuração estável é atingida. Aumentando o número de átomos no condensado até o ponto onde N>Nc outro colapso é induzido e, assim por diante, esse processo será repetido e uma série de colapsos pode ser observada. Neste trabalho, nós investigamos analiticamente o comportamento do condensado colapsante no âmbito de uma equação de Gross-Pitaevskii não-linear, apropriada para descrever a dinâmica do parâmetro de ordem Ψ(r, t ) de um condensado de Bose-Einstein magneticamente aprisionado em um potencial harmônico tridimensional. Colisões inelásticas de dois e três corpos que removem átomos do condensado são incluídas. Usando uma abordagem variacional baseada no princípio de D’Alembert e apropriada para sistemas não-conservativos nós encontramos uma solução analítica para o condensado de Bose-Einstein colapsante. Nós demonstramos que um ansatz Gaussiano captura notavelmente bem a seqüência de implosões e explosões observada em condensados atrativos.