Bose-Einstein condensation dynamics in three dimensions by the pseudospectral and finite-difference methods

We suggest a pseudospectral method for solving the three-dimensional time-dependent Gross-Pitaevskii (GP) equation, and use it to study the resonance dynamics of a trapped Bose-Einstein condensate induced by a periodic variation in the atomic scattering length. When the frequency of oscillation of the scattering length is an even multiple of one of the trapping frequencies along the x, y or z direction, the corresponding size of the condensate executes resonant oscillation. Using the concept of the differentiation matrix, the partial-differential GP equation is reduced to a set of coupled ordinary differential equations, which is solved by a fourth-order adaptive step-size control Runge-Kutta method. The pseudospectral method is contrasted with the finite-difference method for the same problem, where the time evolution is performed by the Crank-Nicholson algorithm. The latter method is illustrated to be more suitable for a three-dimensional standing-wave optical-lattice trapping potential.

Tm and Tm-Tb-doped germanate glasses for S-band amplifiers

The mechanism involved in the Tm(3+)((3)F(4)) -> Tb(3+)((7)F(0,1,2)) energy transfer as a function of the Tb concentration was investigated in Tm:Tb-doped germanate (GLKZ) glass. The experimental transfer rate was determined from the best fit of the (3)F(4) luminescence decay due to the Tm -> Tb energy transfer using the Burshtein model. The result showed that the 1700 nm emission from (3)F(4) can be completely quenched by 0.8 mol% of Tb(3+). As a consequence, the (7)F(3) state of Tb(3+) interacts with the (3)H(4) upper excited state of TM(3+) slighting decreasing its population. The effective amplification coefficient beta(cm(-1)) that depends on the population density difference Delta n = n((3)H(4))-n((3)F(4)) involved in the optical transition of Tm(3+) (S-band) was calculated by solving the rate equations of the system for continuous pumping with laser at 792 nm, using the Runge-Kutta numerical method including terms of fourth order. The population density inversion An as a function of Tb(3+) concentration was calculated by computational simulation for three pumping intensities, 0.2, 2.2 and 4.4 kWcm(-2). These calculations were performed using the experimental Tm -> Tb transfer rates and the optical constants of the Tm (0.1 mol%) system. It was demonstrated that 0.2 mol% of Tb(3+) propitiates best population density inversion of Tin(3+) maximizing the amplification coefficient of Tm-doped (0.1 mol%) GLKZ glass when operating as laser intensity amplification at 1.47 mu m. (C) 2007 Elsevier B.V. All rights reserved.

Solução numérica das equações de Navier-Stokes em um canal-tipo estenose usando métodos compactos e não compacos de alta ordem

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo da estabilidade do movimento rotacional de satélites artificiais com variáveis canônicas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelagem sísmica via métodos das diferenças finitas: caso da bacia do Amazonas

Este trabalho tem por objetivo apresentar os resultados da modelagem sísmica em meios com fortes descontinuidades de propriedades físicas, com ênfase na existência de difrações e múltiplas reflexões, tendo a Bacia do Amazonas como referência à modelagem. As condições de estabilidade e de fronteiras utilizadas no cálculo do campo de ondas sísmicas foram analisadas numericamente pelo método das diferenças finitas, visando melhor compreensão e controle da interpretação de dados sísmicos. A geologia da Bacia do Amazonas é constituída por rochas sedimentares depositadas desde o Ordoviciano até o Recente que atingem espessuras da ordem de 5 km. Os corpos de diabásio, presentes entre os sedimentos paleozóicos, estão dispostos na forma de soleiras, alcançam espessuras de centenas de metros e perfazem um volume total de aproximadamente 90000 Km³. A ocorrência de tais estruturas é responsável pela existência de reflexões múltiplas durante a propagação da onda sísmica o que impossibilita melhor interpretação dos horizontes refletores que se encontram abaixo destas soleiras. Para representar situações geológicas desse tipo foram usados um modelo (sintético) acústico de velocidades e um código computacional elaborado via método das diferenças finitas com aproximação de quarta ordem no espaço e no tempo da equação da onda. A aplicação dos métodos de diferenças finitas para o estudo de propagação de ondas sísmicas melhorou a compreensão sobre a propagação em meios onde existem heterogeneidades significativas, tendo como resultado boa resolução na interpretação dos eventos de reflexão sísmica em áreas de interesse. Como resultado dos experimentos numéricos realizados em meio de geologia complexa, foi observada a influência significativa das reflexões múltiplas devido à camada de alta velocidade, isto provocou maior perda de energia e dificultou a interpretação dos alvos. Por esta razão recomenda-se a integração de dados de superfície com os de poço, com o objetivo de obter melhor imagem dos alvos abaixo das soleiras de diabásio.

Modelagem sísmica por diferenças finitas em meios bidimensionais com difratores

Este trabalho tem por objetivo a modelagem sísmica em meios com fortes descontinuidades de propriedades físicas, com ênfase na existência de difrações. Como parte deste estudo foi feita a análise numérica visando as condições de estabilidade e de fronteiras utilizadas no cálculo do campo de ondas sísmicas. Para a validação do programa de diferenças finitas foi feita a comparação cinemática com a Teoria do Raio para um modelo simples. O motivo deste estudo é ter uma melhor compreensão e controle sobre os problemas de modelagem, visando contribuir para a solução de problemas na interpretação de dados sísmicos. Segundo vários autores na literatura geológica, Derby (1877), Evans (1906), Paiva (1929) e Moura (1938). A Bacia do Amazonas é constituída por rochas sedimentares depositadas desde o Ordoviciano até o recente, atingindo espessuras da ordem de 5 km. Os corpos de diabásio, presentes entre os sedimentos paleozóicos, estão dispostos na forma de soleiras, alcançando espessuras de centenas de metros, perfazendo um volume total de 90.000 quilômetros cúbicos. A ocorrência de tais estruturas é responsável pela existência de reflexões múltiplas durante a propagação da onda sísmica, impossibilitando uma melhor interpretação dos horizontes refletores que se encontram abaixo das soleiras. Para representar situações geológicas desse tipo foi usado um modelo acústico de velocidades. Para o cálculo dos sismogramas foi utilizado um programa de diferenças finitas com aproximação de quarta ordem da equação da onda acústica no espaço e no tempo. As aplicações dos métodos de diferenças finitas para o estudo de propagação de ondas sísmicas têm melhorado a compreensão sobre a propagação em meios onde existem heterogeneidades significativas, tendo como resultado boa resolução na interpretação dos eventos de reflexão sísmica em áreas de interesse. Como resultado dos experimentos numéricos realizados em meio de geologia complexa, foi observado a influência significativa das múltiplas devido a camada de alta velocidade, o que faz com que haja maior perda de energia dificultando a interpretação dos alvos. Por esta razão recomendo a integração de dados de superfície com os dados de poço, com o objetivo de se obter uma melhor imagem dos alvos abaixo das soleiras de diabásio.

Modelagem matemática de tumores e estequiometria biológica

Cancer biology is a complex and expanding field of science study. Due its complexity, there is a strong motivation to integrate many fields of knowledge to study cancer biology, and biological stoichiometry can make this. Biological stoichiometry is the study of the balance of multiple chemical elements in biological systems. A key idea in biological stoichiometry is the growth rate hypothesis, which states that variation in the carbon:nitrogen:phosphorus stoichiometry of living things is associated with growth rate because of the elevated demands for phosphorusrich ribosomal RNA and other elements necessary to protein synthesis. As tumor cells has high rate proliferation, the growth rate hypothesis can be used in cancer study. In this work the dynamic of two tumors (primary and secondary) and the chemical elements carbon and nitrogen are simulate and analyzed through mathematical models that utilize as central idea biological stoichiometry. Differential equations from mathematical model are solved by numerical method Runge-Kutta fourth order

Fiber architecture in remodeled myocardium revealed with a quantitative diffusion CMR tractography framework and histological validation

Background: The study of myofiber reorganization in the remote zone after myocardial infarction has been performed in 2D. Microstructural reorganization in remodeled hearts, however, can only be fully appreciated by considering myofibers as continuous 3D entities. The aim of this study was therefore to develop a technique for quantitative 3D diffusion CMR tractography of the heart, and to apply this method to quantify fiber architecture in the remote zone of remodeled hearts. Methods: Diffusion Tensor CMR of normal human, sheep, and rat hearts, as well as infarcted sheep hearts was performed ex vivo. Fiber tracts were generated with a fourth-order Runge-Kutta integration technique and classified statistically by the median, mean, maximum, or minimum helix angle (HA) along the tract. An index of tract coherence was derived from the relationship between these HA statistics. Histological validation was performed using phase-contrast microscopy. Results: In normal hearts, the subendocardial and subepicardial myofibers had a positive and negative HA, respectively, forming a symmetric distribution around the midmyocardium. However, in the remote zone of the infarcted hearts, a significant positive shift in HA was observed. The ratio between negative and positive HA variance was reduced from 0.96 +/- 0.16 in normal hearts to 0.22 +/- 0.08 in the remote zone of the remodeled hearts (p<0.05). This was confirmed histologically by the reduction of HA in the subepicardium from -52.03 degrees +/- 2.94 degrees in normal hearts to -37.48 degrees +/- 4.05 degrees in the remote zone of the remodeled hearts (p < 0.05). Conclusions: A significant reorganization of the 3D fiber continuum is observed in the remote zone of remodeled hearts. The positive (rightward) shift in HA in the remote zone is greatest in the subepicardium, but involves all layers of the myocardium. Tractography-based quantification, performed here for the first time in remodeled hearts, may provide a framework for assessing regional changes in the left ventricle following infarction.

Influence of Goertler vortices spanwise wavelength on heat transfer rates

The boundary layer over concave surfaces can be unstable due to centrifugal forces, giving rise to Goertler vortices. These vortices create two regions in the spanwise direction—the upwash and downwash regions. The downwash region is responsible for compressing the boundary layer toward the wall, increasing the heat transfer rate. The upwash region does the opposite. In the nonlinear development of the Goertler vortices, it can be observed that the upwash region becomes narrow and the spanwise–average heat transfer rate is higher than that for a Blasius boundary layer. This paper analyzes the influence of the spanwise wavelength of the Goertler the heat transfer. The equation is written in vorticity-velocity formulation. The time integration is done via a classical fourth-order Runge-Kutta method. The spatial derivatives are calculated using high-order compact finite difference and spectral methods. Three different wavelengths are analyzed. The results show that steady Goertler flow can increase the heat transfer rates to values close to the values of turbulence, without the existence of a secondary instability. The geometry (and computation domain) are presented

Mechanical Alterations in airway smooth muscle after interaction with indoor pollutant – A mathematical model.

The viscoelasticity of mammalian lung is determined by the mechanical properties and structural regulation of the airway smooth muscle (ASM). The exposure to polluted air may deteriorate these properties with harmful consequences to individual health. Formaldehyde (FA) is an important indoor pollutant found among volatile organic compounds. This pollutant permeates through the smooth muscle tissue forming covalent bonds between proteins in the extracellular matrix and intracellular protein structure changing mechanical properties of ASM and inducing asthma symptoms, such as airway hyperresponsiveness, even at low concentrations. In the experimental scenario, the mechanical effect of FA is the stiffening of the tissue, but the mechanism behind this effect is not fully understood. Thus, the aim of this study is to reproduce the mechanical behavior of the ASM, such as contraction and stretching, under FA action or not. For this, it was created a two-dimensional viscoelastic network model based on Voronoi tessellation solved using Runge-Kutta method of fourth order. The equilibrium configuration was reached when the forces in different parts of the network were equal. This model simulates the mechanical behavior of ASM through of a network of dashpots and springs. This dashpot-spring mechanical coupling mimics the composition of the actomyosin machinery of ASM through the contraction of springs to a minimum length. We hypothesized that formation of covalent bonds, due to the FA action, can be represented in the model by a simple change in the elastic constant of the springs, while the action of methacholine (MCh) reduce the equilibrium length of the spring. A sigmoid curve of tension as a function of MCh doses was obtained, showing increased tension when the muscle strip was exposed to FA. Our simulations suggest that FA, at a concentration of 0.1 ppm, can affect the elastic properties of the smooth muscle ¯bers by a factor of 120%. We also analyze the dynamic mechanical properties, observing the viscous and elastic behavior of the network. Finally, the proposed model, although simple, incorporates the phenomenology of both MCh and FA and reproduces experimental results observed with in vitro exposure of smooth muscle to FA. Thus, this new mechanical approach incorporates several well know features of the contractile system of the cells in a tissue level model. The model can also be used in different biological scales.

Mechanical alterations in airway smooth muscle after interaction with indoor pollutant - A mathematical model

The viscoelasticity of mammalian lung is determined by the mechanical properties and structural regulation of the airway smooth muscle (ASM). The exposure to polluted air may deteriorate these properties with harmful consequences to individual health. Formaldehyde (FA) is an important indoor pollutant found among volatile organic compounds. This pollutant permeates through the smooth muscle tissue forming covalent bonds between proteins in the extracellular matrix and intracellular protein structure changing mechanical properties of ASM and inducing asthma symptoms, such as airway hyperresponsiveness, even at low concentrations. In the experimental scenario, the mechanical effect of FA is the stiffening of the tissue, but the mechanism behind this effect is not fully w1derstood. Thus, the aim of this study is to reproduce the mechanical behavior of the ASM, such as contraction and stretching, under FA action or not. For this, it was created a two-dimensional viscoelastic network model based on Voronoi tessellation solved using Runge-Kutta method of fourth order. The equilibrium configuration was reached when the forces in different parts of the network were equal. This model simulates the mechanical behavior of ASM through of a network of dashpots and springs. This dashpot-spring mechanical coupling mimics the composition of the actomyosin machinery of ASM through the contraction of springs to a minimum length. We hypothesized that formation of covalent bonds, due to the FA action, can be represented in the model by a simple change in the elastic constant of the springs, while the action of methacholinc (MCh) reduce the equilibrium length of the spring. A sigmoid curve of tension as a function of MCh doses was obtained, showing increased tension when the muscle strip was exposed to FA. Our simulations suggest that FA, at a concentration of 0.1 ppm, can affect the elastic properties of the smooth muscle fibers by a factor of 120%. We also analyze the dynamic mechanical properties, observing the viscous and elastic behavior of the network. Finally, the proposed model, although simple, ir1corporates the phenomenology of both MCh and FA and reproduces experirnental results observed with ir1 vitro exposure of smooth muscle to .FA. Thus, this new mechanical approach incorporates several well know features of the contractile system of the cells ir1 a tissue level model. The model can also be used in different biological scales.

Enabling Blocks for Integrated CMOS UWB Transceivers

The last decades have seen an unrivaled growth and diffusion of mobile telecommunications. Several standards have been developed to this purposes, from GSM mobile phone communications to WLAN IEEE 802.11, providing different services for the the transmission of signals ranging from voice to high data rate digital communications and Digital Video Broadcasting (DVB). In this wide research and market field, this thesis focuses on Ultra Wideband (UWB) communications, an emerging technology for providing very high data rate transmissions over very short distances. In particular the presented research deals with the circuit design of enabling blocks for MB-OFDM UWB CMOS single-chip transceivers, namely the frequency synthesizer and the transmission mixer and power amplifier. First we discuss three different models for the simulation of chargepump phase-locked loops, namely the continuous time s-domain and discrete time z-domain approximations and the exact semi-analytical time-domain model. The limitations of the two approximated models are analyzed in terms of error in the computed settling time as a function of loop parameters, deriving practical conditions under which the different models are reliable for fast settling PLLs up to fourth order. Besides, a phase noise analysis method based upon the time-domain model is introduced and compared to the results obtained by means of the s-domain model. We compare the three models over the simulation of a fast switching PLL to be integrated in a frequency synthesizer for WiMedia MB-OFDM UWB systems. In the second part, the theoretical analysis is applied to the design of a 60mW 3.4 to 9.2GHz 12 Bands frequency synthesizer for MB-OFDM UWB based on two wide-band PLLs. The design is presented and discussed up to layout level. A test chip has been implemented in TSMC CMOS 90nm technology, measured data is provided. The functionality of the circuit is proved and specifications are met with state-of-the-art area occupation and power consumption. The last part of the thesis deals with the design of a transmission mixer and a power amplifier for MB-OFDM UWB band group 1. The design has been carried on up to layout level in ST Microlectronics 65nm CMOS technology. Main characteristics of the systems are the wideband behavior (1.6 GHz of bandwidth) and the constant behavior over process parameters, temperature and supply voltage thanks to the design of dedicated adaptive biasing circuits.

Elektromagnetische Pionproduktion in manifest Lorentz-invarianter baryonischer chiraler Störungstheorie

In dieser Arbeit wurde die elektromagnetische Pionproduktion unter der Annahme der Isospinsymmetrie der starken Wechselwirkung im Rahmen der manifest Lorentz-invarianten chiralen Störungstheorie in einer Einschleifenrechnung bis zur Ordnung vier untersucht. Dazu wurden auf der Grundlage des Mathematica-Pakets FeynCalc Algorithmen zur Berechnung der Pionproduktionsamplitude entwickelt. Bis einschließlich der Ordnung vier tragen insgesamt 105 Feynmandiagramme bei, die sich in 20 Baumdiagramme und 85 Schleifendiagramme unterteilen lassen. Von den 20 Baumdiagrammen wiederum sind 16 als Polterme und vier als Kontaktgraphen zu klassifizieren; bei den Schleifendiagrammen tragen 50 Diagramme ab der dritten Ordnung und 35 Diagramme ab der vierten Ordnung bei. In der Einphotonaustauschnäherung lässt sich die Pionproduktionsamplitude als ein Produkt des Polarisationsvektors des (virtuellen) Photons und des Übergangsstrommatrixelements parametrisieren, wobei letzteres alle Abhängigkeiten der starken Wechselwirkung beinhaltet und wo somit die chirale Störungstheorie ihren Eingang findet. Der Polarisationsvektor hingegen hängt von dem leptonischen Vertex und dem Photonpropagator ab und ist aus der QED bekannt. Weiterhin lässt sich das Übergangsstrommatrixelement in sechs eichinvariante Amplituden zerlegen, die sich im Rahmen der Isospinsymmetrie jeweils wiederum in drei Isospinamplituden zerlegen lassen. Linearkombinationen dieser Isospinamplituden erlauben letztlich die Beschreibung der physikalischen Amplituden. Die in dieser Rechnung auftretenden Einschleifenintegrale wurden numerisch mittels des Programms LoopTools berechnet. Im Fall tensorieller Integrale erfolgte zunächst eine Zerlegung gemäß der Methode von Passarino und Veltman. Da die somit erhaltenen Ergebnisse jedoch i.a. noch nicht das chirale Zählschema erfüllen, wurde die entsprechende Renormierung mittels der reformulierten Infrarotregularisierung vorgenommen. Zu diesem Zweck wurde ein Verfahren entwickelt, welches die Abzugsterme automatisiert bestimmt. Die schließlich erhaltenen Isospinamplituden wurden in das Programm MAID eingebaut. In diesem Programm wurden als Test (Ergebnisse bis Ordnung drei) die s-Wellenmultipole E_{0+} und L_{0+} in der Schwellenregion berechnet. Die Ergebnisse wurden sowohl mit Messdaten als auch mit den Resultaten des "klassischen" MAID verglichen, wobei sich i. a. gute Übereinstimmungen im Rahmen der Fehler ergaben.

Higher-order perturbative relativistic corrections to energies and properties

Relativistic effects need to be considered in quantum-chemical calculations on systems including heavy elements or when aiming at high accuracy for molecules containing only lighter elements. In the latter case, consideration of relativistic effects via perturbation theory is an attractive option. Among the available techniques, Direct Perturbation Theory (DPT) in its lowest order (DPT2) has become a standard tool for the calculation of relativistic corrections to energies and properties.In this work, the DPT treatment is extended to the next order (DPT4). It is demonstrated that the DPT4 correction can be obtained as a second derivative of the energy with respect to the relativistic perturbation parameter. Accordingly, differentiation of a suitable Lagrangian, thereby taking into account all constraints on the wave function, provides analytic expressions for the fourth-order energy corrections. The latter have been implemented at the Hartree-Fock level and within second-order Møller-Plesset perturbaton theory using standard analytic second-derivative techniques into the CFOUR program package. For closed-shell systems, the DPT4 corrections consist of higher-order scalar-relativistic effects as well as spin-orbit corrections with the latter appearing here for the first time in the DPT series.Relativistic corrections are reported for energies as well as for first-order electrical properties and compared to results from rigorous four-component benchmark calculations in order to judge the accuracy and convergence of the DPT expansion for both the scalar-relativistic as well as the spin-orbit contributions. Additionally, the importance of relativistic effects to the bromine and iodine quadrupole-coupling tensors is investigated in a joint experimental and theoretical study concerning the rotational spectra of CH2BrF, CHBrF2, and CH2FI.

Numerical and semi-analytical models of sliding masses: application to the 1783 Scilla tsunamigenic landslide

The Scilla rock avalanche occurred on 6 February 1783 along the coast of the Calabria region (southern Italy), close to the Messina Strait. It was triggered by a mainshock of the Terremoto delle Calabrie seismic sequence, and it induced a tsunami wave responsible for more than 1500 casualties along the neighboring Marina Grande beach. The main goal of this work is the application of semi-analtycal and numerical models to simulate this event. The first one is a MATLAB code expressly created for this work that solves the equations of motion for sliding particles on a two-dimensional surface through a fourth-order Runge-Kutta method. The second one is a code developed by the Tsunami Research Team of the Department of Physics and Astronomy (DIFA) of the Bologna University that describes a slide as a chain of blocks able to interact while sliding down over a slope and adopts a Lagrangian point of view. A wide description of landslide phenomena and in particular of landslides induced by earthquakes and with tsunamigenic potential is proposed in the first part of the work. Subsequently, the physical and mathematical background is presented; in particular, a detailed study on derivatives discratization is provided. Later on, a description of the dynamics of a point-mass sliding on a surface is proposed together with several applications of numerical and analytical models over ideal topographies. In the last part, the dynamics of points sliding on a surface and interacting with each other is proposed. Similarly, different application on an ideal topography are shown. Finally, the applications on the 1783 Scilla event are shown and discussed.