Dissertations / Theses on the topic 'Disordered magnetic systems'

We investigate the properties of two distinct disordered systems: the two-species predator-prey Lotka-Volterra model with rate variability, and an elastic line model to simulate vortex lines in type-II superconductors. We study the effects of intrinsic demographic variability with inheritance in the reaction rates of the Lotka-Volterra model via zero-dimensional Monte Carlo simulations as well as two-dimensional lattice simulations. Individuals of each species are assigned inheritable predation efficiencies during their creation, leading to evolutionary dynamics and thus population-level optimization. We derive an effective subspecies mean-field theory and compare its results to our numerical data. Furthermore, we introduce environmental variability via quenched spatial reaction-rate randomness. We investigate the competing effects and relative importance of the two types of variability, and find that both lead to a remarkable enhancement of the species densities, while the aforementioned optimization effects are essentially neutral in the densities. Additionally, we collected extinction time histograms for small systems and find a marked increase in the stability of the populations against extinction due to the presence of variability. We employ an elastic line model to investigate the steady-state properties and non-equilibrium relaxation kinetics of magnetic vortex lines in disordered type-II superconductors. To this end, we developed a versatile and efficient Langevin molecular dynamics simulation code, allowing us to do a careful study of samples with or without vortex-vortex interactions or disorder allows us to disentangle the various complex relaxational features present in this system and investigate their origin. In particular, we compare disordered samples with randomly distributed point defects versus correlated columnar defects. We extract two-time quantities such as the mean-square displacement, the height and density correlations, to investigate the relaxation kinetics of the system of flux lines. Additionally, we compare the steady-state mean velocity and gyration radius as a function of an external driving current in the presence of point-like and columnar disorder. We validate our simulation algorithm by matching our results against a previously-used Monte Carlo algorithm, verifying that these microscopically quite distinct methods yield similar results even in out-of-equilibrium settings.
Ph. D.

The dynamics of driven interfaces in the random-field Ising model (RFIM) is investigated by the use of Monte Carlo simulations. Interfaces in the RFIM separate regions of opposite spin orientation. By applying an external field one orientation is energetically favored. This may yield an interface motion which is hindered by the random-field. Without thermal fluctuations the competition between the driving field and the random-field leads to a so-called depinning transition. A permanent interface motion is found only if the driving field exceeds a threshold field H_c. At the transition point the interface velocity vanishes continuously, characterized by a critical exponent beta. The values of beta found in the RFIM for the dimensions d=3,4,5,6 support the assumption that the depinning transition in the RFIM belongs to the universality class of the Edwards-Wilkinson equation with quenched disorder. The energy barriers which cause a pinning of the interface at temperature T=0 can be overcome due to the energy provided by thermal fluctuations. This yields a permanent interface motion. For sufficient small driving fields a so-called creep regime is found in the random-field Ising model. This creep regime is predicted by phenomenological theories, functional renormalization group calculations, and has been observed in experiments. The field dependence of the energy barrier in the RFIM is investigated and the results are compared with those known in the literature. Furthermore, it is investigated whether the influence of temperature on the depinning transition can be understood within the theory of critical phenomena. It is assumed that the interface velocity can be expressed as a generalized homogenous function in the vicinity of the transition point (H=H_c|T=0). This assumption is supported by the results of simulations in the dimensions d=3,4,6, yielding an algebraic decay v(H=H_c) proportional T^(1/psi) with an exponent psi>0. The assumption of the interface velocity being a generalized homogenous function is also validated by simulations of magnetic films. From these simulations it can additionally be concluded that the depinning transition in magnetic films is characterized by the two dimensional exponents. The investigations of the five dimensional model show the occurrence of logarithmic correction revealing that d_c=5 is the upper critical dimension of the depinning transition in the RFIM.

We investigate the relaxation properties of two distinct systems: magnetic vortex lines in disordered type-II superconductors and charge carriers in the Coulomb glass in disordered semiconductors. We utilize an elastic line model to simulate magnetic flux lines in disordered type-II superconductors by performing Langevin molecular dynamics simulations. We study the non-equilibrium relaxation properties of flux lines in the presence of uncorrelated point-like disorder or extended linear defects analyzing the effects of rapid changes in the system's temperature or magnetic field on these properties. In a previously-equilibrated system, either the temperature is suddenly changed or the magnetic field is abruptly altered by adding or removing random flux lines to or from the system. One-time observables such as the radius of gyration are measured to characterize steady-state properties, and two-time correlation functions such as the vortex line height autocorrelations are computed to investigate the relaxation dynamics in the aging regime and therefore distinguish the complex relaxation features that result from the different types of disorder in the system. This study allows us to test the sensitivity of the system's non-equilibrium aging kinetics to the selection of initial states and to make closer contact to experimental setups. Furthermore, we employ Monte Carlo simulations to study the relaxation properties of the two-dimensional Coulomb glass in disordered semiconductors and the two-dimensional Bose glass in type-II superconductors in the presence of extended linear defects. We investigate the effects of adding non-zero random on-site energies from different distributions on the properties of the correlation-induced Coulomb gap in the density of states and on the non-equilibrium aging kinetics highlighted by the autocorrelation functions. We also probe the sensitivity of the system's equilibrium and non-equilibrium relaxation properties to instantaneous changes in the density of charge carriers in the Coulomb glass or flux lines in the Bose glass.
Ph. D.

We numerically investigate the dynamical properties of driven magnetic flux vortices in disordered type-II superconductors for a variety of temperatures, types of disorder and sample thicknesses. We do so with the aid of Langevin molecular dynamics simulations of a coarsegrained elastic line model of flux vortices in the extreme London limit. Some original findings of this doctoral work include the discovery that flux vortices driven through random point disorder show simple aging following drive quenches from the moving lattice state to both the pinned glassy state (non-universal aging) and near the critical depinning region (universal aging); estimations of experimentally consistent critical scaling exponents for the continuous depinning phase transition of vortices in three dimensions; and an estimation of the boundary curve separating regions of linear and non-linear electrical transport for flux lines driven through planar defects via novel direct measurements of vortex excitations.
Ph. D.
The works contained in this dissertation were undertaken with the goal of better understanding the dynamics of driven magnetic flux lines in type-II superconductors under different conditions of temperature, material defects and sample thickness. The investigations were conducted with the aid of computer simulations of the flux lines which preserve physical aspects of the system relevant to long-time dynamics while discarding irrelevant microscopic details. As a result of this work, we found (among other things) that when driven by electric currents, flux lines display very different dynamics depending on the strength of the current. When the current is weak, the material defects strongly pin the flux lines leaving them in a disordered glassy state. Sufficiently high current overpowers the defect pinning and results in the flux lines forming into a highly ordered crystal-like structure. In the intermediate critical current regime, the competing forces become comparable resulting in very large fluctuations of the flux lines and a critical slowing down of the flux line dynamics.

Thesis (Ph. D.)--University of California, San Diego, 2007.
Title from first page of PDF file (viewed January 9, 2008). Available via ProQuest Digital Dissertations. Vita. Includes bibliographical references (p. 123-132).

No contexto de sistemas de baixa anisotropia, medidas de magnetização para verificar os efeitos magnéticos induzidos pela substituição do íon Mn+2 por Cu+2 em um quase unidimensional antiferromagneto tipo Heisenberg CsMn1-xCuxA3.2H2O (A = Cl, Br) foram feitas. Nas amostras diluídas com derivados de Br observamos o aparecimento de uma magnetização remanente abaixo de TN quando elas são resfriadas em um pequeno campo axial aplicado ao longo do eixo fácil. Isso não ocorre com as amostras diluídas com derivados de Cl. A troca intra-cadeia tanto com os compostos de Cl e Br é antiferromagnética, entretanto a troca entre-cadeias ao longo de eixo fácil é antiferromagnética no composto com Cl e ferromagnética com o Br. Esse fato parece ser determinístico no surgimento de momentos espontâneos abaixo de TN no composto com bromo. Além disso, medidas de magnetização do monocristal antiferromagnético de sítio diluído A2Fe1-xInxCl5.H2O (A = Cs) foram feitas em baixos campos magnéticos (H) aplicados ao longo do eixo de fácil magnetização. Os dados revelaram que uma magnetização remanente Mr se desenvolve abaixo a temperatura de Néel TN. Essa Mr(T) é paralela ao eixo fácil e satura para campos H ~ 1Oe e ela aumenta com decréscimo de T. Ela também possui uma dependência de temperatura como outros sistemas diluídos da mesma família (A = K, Rb). Para todos esses sistemas, a curva normalizada Mr(t)/ Mr(t = 0,3), onde t=T/TN é a temperatura reduzida, é independente de x e acompanha uma curva universal. No contexto de sistemas de alta anisotropia, a dependência da temperatura do excesso de magnetização em baixos e altos campos foi investigada para o antiferromagneto 3D de Ising FexZn1-xF2 (x = 0.72; 0.46 e 0.31) e também o sistema puro FeF2. Verificamos que Mr surge tanto paralela ou perpendicular ao eixo fácil. A magnitude de Mr, para baixos campos (H < 1 Oe) depende de H, mas satura para campos de alguns Oersted. O esperado comportamento de campo aleatório (RF), em campos altos, é observado quando H é aplicado ao longo do eixo fácil.
In the context of low anisotropy, the magnetization measurements to find out the magnetic effects induced by the substitution of Mn+2 by Cu+2 íons in the quaseone-dimensional Heisenberg-like antiferromagnets CsMn1-xCuxA3.2H2O (A = Cl,Br) were made. In the diluted samples of the Br derivative, we observe the appearance of a remanent magnetization (Mr) below TN when they are cooled in a small axial magnetic field applied along the easy axis. This does not occur in the diluted samples of the Cl derivative. The intra-chain exchange both in Cl and Br compounds is antiferromagnetic, however the inter-chain exhange along the easy axis is antiferromagnetic in the chloride compound and ferromagnetic in the bromide. This fact seems to be deterministic in the appearance of the net moments below TN in the bromide. Moreover, the magnetization measurements on single crystals of the sitediluted antiferromagnet A2Fe1-xInxCl5.H2O (A = Cs) were carried out at low magnetic fields (H) applied along the easy axis. The data revealed that a Mr develops below the Néel temperature TN. This Mr(T) is parallel to the easy axis , saturates for H ~ 1 Oe and it increases with decreasing T. It has also temperature dependence as another diluted systems of the same family (A = K, Rb). For all these systems the normalized Mr(t)/Mr(t = 0,3), where t = T/TN is the reduced temperature, is independet of x and follow a universal curve. In the context of high anisotropy, the temperature dependence of the excess magnetization at low and high fields was investigated for the diluted antiferromagnet FexZn1-xF2 (x = 0.72; 0.46 and 0.31) and pure system FeF2 as well. It was found that Mr is either along the easy axis or perpendicular to it. The size of Mr for very low fields (H < 1 Oe) depends on H but it sature for fields of the order of few Oersteds. The expected random field (RF) behaivor is observed when H is applied along the easy axis at higher fields.

Consideramos os efeitos de desordem ou aperiodicidade sobre três sistemas magnéticos distintos. Inicialmente, apresentamos um modelo fenomenológico para descrever a dependência térmica da magnetização remanente induzida por diluição numa classe de antiferromagnetos quase-unidimensionais. O modelo trata exatamente as correlações ao longo da direção dominante, levando em conta as demais interações por meio de um campo efetivo. Em seguida, utilizamos uma aproximação autoconsistente de Bethe-Peierls para avaliar os efeitos de um campo cristalino aleatório sobre os diagramas de fases de um modelo de Ising de spins mistos. Mostramos que a desordem é capaz de modificar a natureza dos pontos multicríticos existentes no limite uniforme do modelo. Finalmente, estudamos os efeitos de interações aleatórias ou aperiódicas sobre o comportamento da cadeia XX quântica em baixas temperaturas, através de câlculos numéricos baseados no mapeamento do sistema em um modelo de férmions livres. Apontamos evidências de que, em temperatura zero, existe um único ponto fixo universal, característico de uma fase de singleto aleatório, que governa o comportamento do modelo na presença de interações desordenadas. No caso de interações aperiódicas,obtemos resultados consistentes com previsões de grupo de renormalização, indicando, para uma certa classe de seqüências de substituição, um comportamento semelhante àquele associado à desordem.
We consider effects of disorder or aperiodicity on three different magnetic systems. First, we present a phenomenological model to describe the thermal dependence of the dilution-induced remanent magnetization in a class of quasi-one-dimensional antiferromagnets. The model treats correlations along the dominant direction in an exact way, while including the remaining inte-. i ractions via an effective field. Then, we use a self-consistent Bethe-Peierls ~ j .. approximation to gauge the effects of a random crystal field on the phase diagram of a mixed-spin Ising mode!. We show that disorder may have profound effects on the multicritical behavior associated with the uniform limit of the mo de!. Finally, we study effects of random or aperiodic interactions on the behavior of the quantum XX chain at low temperatures, by performing numerical calculations based on a mapping of the system onto a free-fermion mo de!. . We present evidence that, at zero temperature, there exists a single, universal fixed-point, associated with a random-singlet phase, which governs the behavior of the model in the presence of disordered interactions. In the case of aperiodic interactions, our results are consistent with renormalizationgroup predictions, indicating, for a certain class of substitution sequences, a behavior similar to the one induced by disorder.

L'objet de cette these est l'etude des proprietes statiques et dynamiques du modele de spins xxo bimodal sur reseau carre. A partir de simulations numeriques intensives, nous obtenons son diagramme de phase (l,x) classique a temperature nulle ou x est la concentration des defauts magnetiques et l leur force. Nous mettons en evidence, par le calcul de differents parametres d'ordre et des fonctions de correlation spin-spin, une transition qui separe une phase de decroissance algebrique des correlations et un verre de spin isotrope caracterise par une decroissance exponentielle des correlations. Nos resultats suggerent egalement une aimantation nulle pour toute concentration x finie des defauts a la limite thermodynamique. Nous etudions ensuite la dynamique du systeme. Le calcul des quantites hydrodynamiques qui la caracterisent montre l'existence d'ondes de spin de dispersion lineaire dans la limite des basses frequences. L'obtention du facteur de structure dynamique du systeme dans l'approximation harmonique des ondes de spin permet d'acceder aux composantes dans le plan xy et transverse des fluctuations magnetiques. Nous en deduisons differentes quantites qui permettent de discuter du comportement dynamique du systeme. Nous procedons egalement a une modelisation de l'ensemble de ces proprietes dynamiques dans le cadre de l'approximation cpa (coherent potential approximation). Les resultats obtenus par cette approche, qui permet d'alleger notablement la charge numerique et d'acceder a de plus grandes tailles de systemes, sont en tres bon accord avec nos resultats des calculs exacts. Enfin nous etudions l'effet de la frustration sur les fluctuations quantiques du systeme en calculant la premiere correction en 1/s aux grandeurs hydrodynamiques. Nous montrons l'existence, dans le cas ou s=1/2, d'une phase quantique desordonnee a temperature nulle caracterisee par une constante de raideur nulle. Nous proposons egalement une approche originale pour investiguer les proprietes du systeme dans cette phase

Magnetic properties of nanoparticle systems and spin glasses have been investigated theoretically, and experimentally by squid magnetometry.

Two model three-dimensional spin glasses have been studied: a long-range Ag(11 at% Mn) Heisenberg spin glass and a short-range Fe_0.5Mn_0.5TiO₃ Ising spin glass. Experimental protocols revealing ageing, memory and rejuvenation phenomena are used. Quantitative analyses of the glassy dynamics within the droplet model give evidences of significantly different exponents describing the nonequilibrium dynamics of the two samples. In particular, non-accumulative ageing related to temperature-chaos is much stronger in Ag(11 at% Mn) than in Fe_0.5Mn_0.5TiO₃.

The physical properties of magnetic nanoparticles have been investigated with focus on the influence of dipolar interparticle interaction. For weakly coupled nanoparticles, thermodynamic perturbation theory is employed to derive analytical expressions for the linear equilibrium susceptibility, the zero-field specific heat and averages of the local dipolar fields. By introducing the averages of the dipolar fields in an expression for the relaxation rate of a single particle, a non trivial dependence of the superparamagnetic blocking on the damping coefficient is evidenced. This damping dependence is interpreted in terms of the nonaxially symmetric potential created by the transverse component of the dipolar field.

Strongly interacting nanoparticle systems are investigated experimentally in terms of spin-glass behaviour. Disorder and frustration arise in samples consisting of frozen ferrofluids from the randomness in particle position and anisotropy axes orientation. A strongly interacting system is shown to exhibit critical dynamics characteristic of a spin-glass phase transition. Ageing, memory and rejuvenation phenomena similar to those of conventional spin glasses are observed, albeit with weak temperature-chaos effects.

Ce travail est consacre a l'etude de la phase isolante de systemes desordonnes dans le regime de la localisation d'anderson. Les etats electroniques sont localises sur une echelle characteristique, la longueur de localisation, suite a des interferences destructives induites par le desordre. L'effet d'un champ magnetique sur la longueur de localisation a suscite plusieurs travaux theoriques recents. D'un cote la theorie de matrices aleatoires propose une dependance universelle de la longueur de localisation en fonction de la symmetrie du systeme. Un champ magnetique brise la symmetrie par rapport au renversement du sens du temps et peut induire un changement de la longueur de localisation quand un quantum de flux est mis a travers un site localise. D'un autre cote, la phase des fonctions d'onde lors d'un processus tunnel est sensible a un champ magnetique ce qui modifie l'element matriciel intersite. Pour etudier ces phenomenes nous nous sommes interesse dans un premier temps a la constante dielectrique. Cette quantite peut etre relie tres simplement a la longueur de localisation et represente donc une quantite tres importante si l'on s'interesse a la dependence de la longueur de localisation en fonction d'un champ magnetique applique. Par contre, a temperature finie un processus de relaxation de debye contribue a la constante dielectrique et doit etre separe dans une analyse des effets du champ. Nous presentons ici une etude assez complete de la constante dielectrique de systemes desordonnes yttrium-silicium en fonction d'un champ applique, de la temperature, de la frequence et de la longueur de localisation. Cette etude permet de bien separer l'effet du champ dans les differentes regimes et proche de la transition nous pouvons identifier un changement de la longueur de la localisation lorsqu'un quantum de flux est mise a travers un site localise. L'etude de la dependence en frequence montre que loin de la transition un modele de percolation permet de expliquer les lois d'echelle observe assez facilement. Proche de la transition, l'interaction coulombienne joue un role dominant a tres basse temperature et a l'aide d'un modele qui prend en compte un gap de coulomb dans la densite d'etat le comportement de la constante dielectrique est qualitativement bien decrit. Enfin nous avons etudie le magnetisme orbital dans les systemes yttrium-silicium tres proche de la transition. Nos resultats preliminaires suggerent que les effets sont induit par une brisure de la symmetrie par rapport au renversement du sens du temps, bien que une etude plus complete en fonction de la longueur de localisation est necessaire pour prouver l'origine orbital du signal observe.

Accurate electronic structure calculations are becoming more and more important because of the increasing need for information about systems which are hard to perform experiments on. Databases compiled from theoretical results are also being used more than ever for applications, and the reliability of the theoretical methods are of utmost importance. In this thesis, the present limits on theoretical alloy calculations are investigated and improvements on the methods are presented. A short introduction to electronic structure theory is included as well as a chapter on Density Functional Theory, which is the underlying method behind all calculations presented in the accompanying papers. Multiple Scattering Theory is also discussed, both in more general terms as well as how it is used in the methods employed to solve the electronic structure problem. One of the methods, the Exact Muffin-Tin Orbital method, is described extensively, with special emphasis on the slope matrix, which energy dependence is investigated together with possible ways to parameterize this dependence. Furthermore, a chapter which discusses different ways to perform calculations for disordered systems is presented, including a description of the Coherent Potential Approximation and the Screened Generalized Perturbation Method. A comparison between the Exact Muffin-Tin Orbital method and the Projector Augmented-Wave method in the case of systems exhibiting both compositional and magnetic disordered is included as well as a case study of the MoRu alloy, where the theoretical and experimental discrepancies are discussed. The thesis is concluded with a short discussion on magnetism, with emphasis on its computational aspects. I further discuss a generalized Heisenberg model and its applications, especially to fcc Fe, and also present an investigation of the competing magnetic structures of FeNi alloys at different concentrations, where both collinear and non-collinear magnetic structures are included. For Invar-concentrations, a spin-flip transition is found and discussed. Lastly, I discuss so-called quantum corrals and possible ways of calculating properties, especially non-collinear magnetism, of such systems within perturbation theory using the force theorem and the Lloyd’s formula.

Inflammatory arthropathies and systemic rheumatic diseases (IASRDs) commonly involve the cardiovascular system, and are associated with high morbidity and mortality. Mechanisms of cardiovascular involvement in these clinical entities are not fully understood. Cardiovascular magnetic resonance (CMR) is the single imaging modality capable of assessing non-invasively cardiac function, strain, ischaemia, altered vascular function, perfusion, oedema/inflammation and fibrosis. Furthermore, magnetic resonance spectroscopy (MRS) can give further insights into the status of myocardial energetics and lipidosis. The pathophysiological mechanisms and phenotype of cardiovascular disease (CVD) in IASRDs need further clarification. CMR is an ideal tool for the early identification and monitoring of cardiac manifestations in patients with IASRDs. Hence, the aims of this D.Phil project were to (i) utilise CMR and MRS to study disease mechanisms in patients with rheumatoid arthritis (RA), systemic lupus erythematosus (SLE) and systemic sclerosis (SSc), and (ii) to assess the role of anti-cytokine therapies in abrogation of cardiovascular complications and effects on cardiovascular function in patients with RA, ankylosing spondylitis (AS) and psoriatic arthritis (PsA). First, we used CMR to assess myocardial structure and function in RA, SLE and SSc patients with no known cardiovascular symptoms. Patients and controls were stratified by the presence of traditional cardiovascular risk factors (CVRFs). Our data demonstrated no differences in overall left ventricular (LV) systolic function, size and mass between patients and matched controls. There were, however, impairments in regional function and myocardial deformation, which is most severe in RA, SLE and SSc patients with CVRFs. We also found evidence of impaired vascular function in RA, SLE and SSc, using pulse wave velocity (PWV) and aortic distensibility, and again, showed that patients with CVRFs demonstrated the most severe aberrations, while patients without CVRFs and controls with CVRFs had an intermediate phenotype. Abnormalities in vascular and regional function were most severe in patients with SSc. Also, we showed that impaired vascular function correlated with abnormal systolic myocardial strain and diastolic strain rate in all groups of IASRDs studied. These data have implications for the clinical care of patients with RA, SLE and SSc and show that there is extensive cardiovascular involvement in asymptomatic patients. These results also suggest that early identification and stratification of CVD in IASRDs, with non-invasive techniques like CMR, may permit earlier intervention, thus potentially reducing the effect of CVD on morbidity and mortality in IASRDs. Lastly, these data highlight the importance of early detection and aggressive management of co-existent traditional CVRFs, as they confer incremental risk of CVD in patients with IASRDs. Second, we used CMR for comprehensive phenotyping of tissue characteristics in patients with RA, SLE and SSc. Our data confirmed that subclinical myocardial changes are common in patients with IASRDs (even with apparently normal hearts), which can be detected using multiparametric CMR. In addition to focal areas of fibrosis (detected by late gadolinium enhancement [LGE]), there were also areas of focal myocardial oedema or inflammation (detected by T2-weighted imaging). Further, using more sensitive techniques such as native T1 mapping and extracellular volume (ECV) quantification, we were able to demonstrate even more areas of myocardial involvement in IASRD patients than conventional CMR techniques can reveal, with patients showing significantly larger areas of T1 abnormality and expanded ECV, which likely represent a combination of low grade inflammation and diffuse myocardial fibrosis that are well-described disease processes in this cohort. We also found that T1 and ECV measures were associated with subtle myocardial systolic and diastolic dysfunction. The results of this study suggest that CMR, particularly T1 and ECV quantification, can be used for early detection of subclinical myocardial involvement in IASRD patients, potentially serving as an early screening tool before overt LV dysfunction or irreversible myocardial damage occurs. Third, we utilised CMR to study myocardial perfusion in patients with RA, SLE and SSc. We found that myocardial perfusion was impaired in asymptomatic IASRD with no overt heart disease. Non-segmental, subendocardial perfusion defects consistent with microvascular dysfunction were present in 47%, 31% and 41% of RA, SLE and SSc patients, respectively. Furthermore, there was a significant correlation between MPRI and systolic and diastolic regional function in all groups of patients. In RA and SSc, there was also a correlation between myocardial perfusion reserve index (MPRI) and disease activity. SSc patients had the greatest burden of ECV expansion, and in this group ECV also correlated with MPRI. These data led us to hypothesise that myocardial ischaemia likely leads to impaired myocardial relaxation and diffuse fibrosis, which predate overt dysfunction in contractility. Fourth, we investigated the effect of TNF-alpha inhibitors on myocardial and vascular function and structure in RA, AS and PsA patients. We confirmed that anti-TNF therapy was associated with improvements in serum inflammatory parameters like CRP and ESR, as well as with improved clinical measures of disease activity. Anti-TNF therapy, however, was not related to a change in left ventricular size, mass and global systolic function. We found that inhibition of TNF-alpha activity does result in better myocardial strain and strain rate, likely reflecting an improvement in myocardial inflammatory burden. Moreover, these findings were also supported by improvements in T2 weighted measures, native T1 values and ECV calculations. There was, however, no significant change in myocardial perfusion following anti-TNF therapy. These results support the hypothesis that during episodes of disease activity, myocardial oedema is present in patients with IASRDS and that by reducing the systemic inflammatory response, improvements in myocardial and vascular function can be achieved. Finally, we used CMR and MRS in asymptomatic RA and SLE patients (with normal hearts on echocardiography) to investigate cardiac metabolic status in this cohort. We found that myocardial energetics were impaired in patients, despite preserved overall ejection fraction. Interestingly, abnormal myocardial energetics were associated with presence of LGE, decreased myocardial perfusion, expanded ECV, volume fraction of T1 >990ms (which represents >2 standard deviations above the mean T1 value at 1.5T) and left atrial size. We did not find any difference in myocardial and hepatic lipid content between patients and controls. These data clearly demonstrate that abnormalities in cardiac energetics are present in IASRD patients even before the development of overt cardiac dysfunction, and may be driven by microvascular function and fibrosis.

Cette these est faite de deux parties independantes. La premiere partie traite les corrections quantiques a l'effet hall anormal. On peut montrer que les termes de l'anomalie coulombienne se compensent mutuellement en considerant la diffusion asymetrique des electrons de conduction par les moments magnetiques d'une couche metallique desordonnee. La contribution venant de la localisation faible est coupee par la diffusion asymetrique qui brise la coherence de phase. Les resultats sont en bon accord avec une experience recente sur des couches minces de fer desordonnees et ferromagnetiques. Dans la seconde partie, on etudie la formation de moments magnetiques localises dans des systemes comme des semiconducteurs dopes en phase metallique. Le calcul est base sur le modele de hubbard avec desordre hors-diagonal. En examinant le modele a une seule impurete faiblement rattachee au reseau, on trouve un moment magnetique localise, et cela meme dans l'approximation de hartree-fock pour la repulsion locale u. On associe a ce moment magnetique un effet kondo dont la nature et la dependance par rapport au desordre sont discutees. Les resultats sont compares a une experience recente mesurant le pouvoir thermoelectrique du si:p. La correspondance est satisfaisante

Le mouvement collectif, l'ordre spontané des vitesses dans un système macroscopique, est une propriété marquante des systèmes vivants tels que les vols d'oiseaux. Il est prédit par des modèles de particules auto-propulsées, qui sont actives : elles ne conservent ni énergie, ni impulsion. Dans ma thèse, j'étudie un modèle conservatif de mouvement collectif, composé de particules portant des spins couplés à leur vitesse, en m'aidant de notions de physique des liquides, de magnétisme, et de mécanique statistique. Je montre que l'alignement des spins génère une attraction effective, qui est responsable d'une séparation de phase entre un gaz isotrope et un ferroliquide se terminant en un point triple, d'où émerge la ligne de Curie. Je dresse ensuite le diagramme des phases du modèle en présence d'un couplage spin-vitesse, en faisant varier son intensité, le nombre de particules, la densité, et la température. La conservation de l'impulsion impose que les phases polaire soient en mouvement collectif. A basse température et basse densité, je montre que le système peut créer spontanément des défauts d'alignement pour ne pas avoir à se mouvoir et ainsi échapper à un coût élevé en énergie cinétique. Je montre que le système peut transiter d'un état apolaire vers un état polaire lorsque la température augmente, trahissant un phénomène d'ordre par le désordre. Enfin, je montre que le mouvement du système est bien décrit par un modèle effectif de particules auto-propulsées avec de l'inertie de rotation, qui augmente fortement à la transition de rigidité. A haute inertie, le système présente des virages et des rotations spontanées dus à la conservation du moment cinétique
Collective motion, the spontaneous ordering of the velocities across a macroscopic system, is a hallmark of living systems like flocks of birds.It is captured by models of self-propelled particles, that are usually active: they do not conserve energy nor momentum. In my thesis, using notions from the theory of liquids, magnetism, and statistical mechanics, I study a conservative model of collective motion, composed of particles that carry spins, which are coupled to their velocities. I show that the alignment of spins creates an effective attraction, that is responsible for a phase separation between an isotropic gas and a ferroliquid. This phase separation ends in a tricritical point, from which stems the Curie line. I then establish the full phase diagram of the model with a spin-velocity coupling, varying its amplitude, the number of particles, the density, and the temperature.The conservation of momentum imposes that all polar phases move collectively. At low temperatures and densities, I show that the system spontaneously generates alignment defects so as to stop moving, and thus escapes a high kinetic energy cost. I also show that the system can go from an apolar state to a polar one as the temperature increases, betraying an order-by-disorder phenomenon. Finally, I show that the dynamics of the system is well described by an effective model of self-propelled particles, with a rotational inertia that soars at the rigidity transition. At high inertia, the system moves with spontaneous turns and rotations caused by the conservation of angular momentum

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Systemic Lupus Erythematosus - LES is an autoimmune disease involving multiple systems. In the Central nervous system-SNC is one of his more severe manifestations. One of the frames of Lupus neuropsychiatric - LES-NP, is a Demyelinating Syndrome - SD. SD in rare cases, may be the first manifestation of LES, resembling multiple sclerosis - MS in their symptoms. MS is autoimmune disease with involvement of SNC with components, degenerative and inflammatory, which can produce autoantibodies and general symptoms that make your final diagnosis. The disease occurs more in young women than in men, typically evolve with outbreaks and remissions. In order to contribute to the diagnosis of these two illnesses, we proposed a comparative analysis, considering clinical, laboratory, and image aspects. As there is a lack of definition of SD, aims to contribute to the definition and establishment of standards of compromise of the SNC by SD of LES-NP, comparing patients with LES-NP and MS (the prototype of CNS demyelinating disease), attended in rheumatology and neurology of the HC/FM/UFG, Goiania. GO, from 2009 to 2010, according to the demographic aspects (sex and age), clinical (time of illness, functional systems and EDSS), laboratory (Autoantibodies and liquid Cerebroespinhal - LCR), image (Conventional magnetic resonance - RM) and Neuropsychological - NPS (cognitive and emotional). It is one epidemiological, analytical and comparative cross-sectional study of LES-NP and MS, which was approved by the CEP/HC/UFG. Were used in the survey questionnaires: an analysis of demographic and personal and family background; other symptoms; Neurological exams and NPS; Analysis: image by RM, laboratory of autoantibodies and LCR; and symptoms of depression and anxiety by Beck inventory (BAI and BDI). The results demonstrated an increased frequency in patients of age; time of disease; Visual symptoms; changes of sensitivity; of coordination; of the March; retention and urinary incontinence; changes of speech and swallowing; depressive and psychotic symptoms in family and personal history; WMHs in parietal and frontal lobes, occipitais, corpus callosum, periventricular, justacortical, brain stem; the cerebellum; spinal cord and the Barkhof and Tintoré criteria - CBT. Other findings in the RM were: infarcts; Vasculitis; menigioma and thrombosis in patients with LES-NP. The involvement of SNC in LES was measured by clinical symptomatology, neurological examination, EDSS, image findings and neuropsychological tests. RM was predictive analytics to relate workload post-lesional adaptation in brain regions typically involved in in. The application of CBT in patients with SD of LES-NP, associated with the qualitative assessment of WMHs may define the differences of neurological involvement pattern of injury of the SD of LES-NP, those at. The dosage of autoantibodies was predictive analytics for the diagnosis of LES, especially the anti DNA, the anti-ENA and the LAC, which were unique in the LES-NP. The clinical examination and laboratory research, neurological autoantibodies antinuclear antibodies and image by RM offers great security in diagnosis of the two diseases.Show that there are aspects of the involvement of the SD in LES needing new assessments, using the markers of neuronal injury, the more specific and with studies of Immunogenetics compared with in, the prototype of CNS demyelinating disease.
Lúpus Eritematoso Sistêmico - LES é a doença auto-imune que envolve vários sistemas. No Sistema Nervoso Central - SNC é uma de suas manifestações mais graves. Um dos quadros neurológicos do Lúpus Neuropsiquiátrico - LES-NP, é a Síndrome Desmielinizante - SD. Em raros casos, SD pode ser a primeira manifestação do LES, se assemelhando a Esclerose Múltipla - EM em sua sintomatologia. EM é doença autoimune com envolvimento do SNC com componentes, inflamatório e degenerativo, que pode apresentar auto-anticorpos e sintomas gerais que dificultam seu diagnóstico final. As doenças ocorrerem mais em mulheres jovens que em homens, evoluem tipicamente com surtos e remissões. Com o intuito de contribuir para o diagnóstico dessas duas enfermidades, propusemos uma análise comparativa, considerando aspectos clínicos, laboratoriais e de imagem. Como há uma carência de definição da SD, pretende-se contribuir com a definição e o estabelecimento de padrões de comprometimento do SNC pela SD do LES-NP, comparando os pacientes com LES-NP e EM (o protótipo da doença desmielinizante), atendidos no serviço de reumatologia e neurologia do HC/FM/UFG, Goiânia/GO, de 2009 a 2010, segundo os aspectos demográficos (sexo e idade), clínicos (tempo de doença, sistemas funcionais e EDSS), laboratoriais (Autoanticorpos e Líquido Cerebroespinhal - LCR), de imagem (Ressonância Magnética Convencional - RM) e Neuropsicológicos - NPS (cognitivo e emocional). É um estudo epidemiológico, analítico, transversal, comparativo de LES-NP e EM, que foi aprovado pelo CEP/HC/UFG. Foram utilizados na pesquisa análise de questionários: um demográfico e de antecedentes pessoais e familiares; outro de sintomas; exames: neurológico e de NPS; avaliações: imagem por RM e laboratorial de auto-anticorpos e LCR; e sintomas de depressão e ansiedade pelo inventário de Beck (BAI e BDI). Os resultados demonstraram uma frequência aumentada nos pacientes de EM, em idade; tempo de doença; sintomas visuais; alterações de sensibilidade; da coordenação; da marcha; retenção e incontinência urinária; alterações da fala e deglutição; sintomas depressivos e psicóticos na história pessoal e familiar; alterações focais da substância branca (WMHs) nos lobos frontais, parietais e occipitais, corpo caloso, periventricular, justacortical, tronco encefálico; cerebelo; medula espinhal e os critérios de Barkhof e Tintoré - CBT. Outros achados na RM foram: infartos cerebrais; vasculites; meningioma e trombose nos pacientes com LES-NP. O envolvimento do SNC no LES foi mensurado pela sintomatologia clínica, exame neurológico, EDSS, achados de imagem e testes neuropsicológicos. RM foi preditiva em relacionar carga lesional em regiões cerebrais tipicamente envolvidas na EM. A aplicação dos CBT nos pacientes com SD do LES-NP, associado à avaliação qualitativa das WMHs pode definir as diferenças de padrão de envolvimento neurológico da lesão da SD do LES-NP, daquelas da EM. A dosagem de autoanticorpos foi preditiva para o diagnóstico de LES, especialmente o anti DNA, o anti-ENA e o LAC, os quais foram exclusivos no LES-NP. O exame clínico e neurológico, da investigação laboratorial de auto-anticorpos antinucleares e da imagem por RM oferece segurança no diagnóstico das duas enfermidades. Mostram que há aspectos do envolvimento da SD no LES que necessitam de novas avaliações, utilizando os marcadores de lesão neuronal, mais específicos e com estudos de imunogenética comparados com a EM, o protótipo da doença desmielinizante do SNC.

Dipolar couplings are one of the major source of structural information. Due to their dependence on the distance between the nuclei and the angle of orientation of the dipolar vector with respect to the magnetic field, they provide significant insight into the geometry and topology of molecules. As the dipolar interactions are in general present in the solid phase of the compounds, solid state NMR experiments have gained significant popularity and is widely used. Separated Local Field NMR spectroscopy based on cross-polarization technique has been used to measure the heteronuclear dipolar couplings in solid state. However, the technique undergoes many experimental challenges and requires further development. This thesis is concerned mainly with the development of techniques to measure the dipolar couplings accurately in oriented molecules. In this regard, a method for fast data acquisition is also proposed. The first chapter briefly introduces the basics of NMR spectroscopy, methodologies applied for obtaining a high resolution NMR spectrum in the solid state. An introduction to liquid crystals is presented and the nature of NMR interaction in the liquid crystalline phases is described. In chapter-2, a new pulse scheme has been proposed that includes the X-nucleus polarization in the SLF experiments and is shown to provide better sensitivity and resolution. A quantitative analysis with simulation and experimental results are also presented. In chapter-3, the performance of various homonuclear decoupling pulse schemes incorporated into SLF experiments tested on oriented systems are compared. The proposed pulse schemes are shown to provide high resolution spectrum with accurate dipolar coupling measurement for natural abundant samples and for uniformly labeled compounds as well. Theoretical description with simulation and experimental results shown here are found to provide optimum results under several technical complications seen with respect to the conventional methods used for SLF experiments. Chapter-4, an attempt is made to reconstruct 2D J-resolved and 2D- SLF spectra from several 1D experimental data. This is achieved with the help of projection reconstruction method and is shown to provide high resolution 2D spectrum with saving of experimental time by an order of two. Chapter-5, high resolution spectra from SLF experiments under phase alternating pulses and using amplitude and time averaged nutation techniques are shown for accurate dipolar coupling measurement with a dramatic reduction in rf power. This is important as the use of low rf power leads to low sample heating and can be applied suitably for the study of liquid crystals and salty biomolecules. Chapter-6, attempts are made to characterize two novel thiophene based liquid crystals using both solution and solid state NMR spectroscopy. C-H dipolar couplings measured from SLF experiments are mainly used to find the order parameters and geometry of the molecules.

Order-by-disorder is the phenomenon of the selection of a long-ranged ordered state by fluctuations in a many-body system. This mechanism, at first sight, seems paradoxical, since fluctuations (disorder) intuitively tend to suppress the order. However, when ObD happens, disorder works in favour of a particular ordered phase. Order-by-disorder can happen where an accidental degeneracy occurs in classical or mean field treatment of a system. These degeneracies, which are not due to exact symmetries of the system, can then be lifted by quantum or thermal fluctuations. The ObD phenomenon is ubiquitous in condensed matter systems with competing or frustrated interactions. Traditionally, the ObD is studied at $T = 0^+$ where the ground state of the system can be selected by quantum fluctuations. The study of ObD at temperature regimes near criticality, $T \lesssim Tc$ where transition happens from the paramagnetic phase to an ordered phase, however, have not received as much attention. In this thesis, we study the ObD phenomenon in three dimensional frustrated sys- tems close to criticality. We consider 3-component classical Heisenberg spins on pyrochlore lattice and FCC lattice. In the former, the spins interact via a Hamiltonian that can include the most general nearest-neighbour symmetry allowed bilinear interactions, long- range magnetostatic dipole-dipole interaction and second and/or third nearest-neighbour exchange interactions. However, in the latter, the Hamiltonian only consists of long-range magnetostatic dipole-dipole interactions. These two systems, correspond to insulating rare- earth pyrochlore oxides and rare-earth FCC salts. The mean field treatment shows, that accidental $O(4)$ and $U(1)$ symmetries emerge in two different regions of the parameter space of the Hamiltonian of pyrochlore system. While in the FCC system, an accidental $O(3)$ symmetry emerges at the mean field level. We show that fluctuations break these symmetries by respectively introducing cubic (in 4-vector and 3-vector models) and hexag- onal anisotropies to the free-energy of the system. To study these system beyond mean field approximation, we use Monte Carlo simulations, spin wave theory and we develop the E-TAP method which is an extended version of the method originally proposed by Thouless, Anderson and Palmer to study fluctuations in spin glasses.

Indiana University-Purdue University Indianapolis (IUPUI)
Magnetic resonance (MR) spectroscopy is a neuroimaging technique. It is widely used to quantify the concentration of important metabolites in a brain tissue. Imbalance in concentration of brain metabolites has been found to be associated with development of neurological impairment. There has been increasing trend of using MR spectroscopy as a diagnosis tool for neurological disorders. We established statistical methodology to analyze data obtained from the MR spectroscopy in the context of the HIV associated neurological disorder. First, we have developed novel methodology to study the association of marker of neurological disorder with MR spectrum from brain and how this association evolves with time. The entire problem fits into the framework of scalar-on-function regression model with individual spectrum being the functional predictor. We have extended one of the existing cross-sectional scalar-on-function regression techniques to longitudinal set-up. Advantage of proposed method includes: 1) ability to model flexible time-varying association between response and functional predictor and (2) ability to incorporate prior information. Second part of research attempts to study the influence of the clinical and demographic factors on the progression of brain metabolites over time. In order to understand the influence of these factors in fully non-parametric way, we proposed LongCART algorithm to construct regression tree with longitudinal data. Such a regression tree helps to identify smaller subpopulations (characterized by baseline factors) with differential longitudinal profile and hence helps us to identify influence of baseline factors. Advantage of LongCART algorithm includes: (1) it maintains of type-I error in determining best split, (2) substantially reduces computation time and (2) applicable even observations are taken at subject-specific time-points. Finally, we carried out an in-depth analysis of longitudinal changes in the brain metabolite concentrations in three brain regions, namely, white matter, gray matter and basal ganglia in chronically infected HIV patients enrolled in HIV Neuroimaging Consortium study. We studied the influence of important baseline factors (clinical and demographic) on these longitudinal profiles of brain metabolites using LongCART algorithm in order to identify subgroup of patients at higher risk of neurological impairment.
Partial research support was provided by the National Institutes of Health grants U01-MH083545, R01-CA126205 and U01-CA086368