Submitted by Izabel Franco (izabel-franco@ufscar.br) on 2016-09-19T18:31:46Z No. of bitstreams: 1 TeseMGS.pdf: 2043252 bytes, checksum: a70365d13804598ad8c94cb75631f81d (MD5) / Approved for entry into archive by Marina Freitas (marinapf@ufscar.br) on 2016-09-20T14:01:52Z (GMT) No. of bitstreams: 1 TeseMGS.pdf: 2043252 bytes, checksum: a70365d13804598ad8c94cb75631f81d (MD5) / Approved for entry into archive by Marina Freitas (marinapf@ufscar.br) on 2016-09-20T14:01:58Z (GMT) No. of bitstreams: 1 TeseMGS.pdf: 2043252 bytes, checksum: a70365d13804598ad8c94cb75631f81d (MD5) / Made available in DSpace on 2016-09-20T14:02:06Z (GMT). No. of bitstreams: 1 TeseMGS.pdf: 2043252 bytes, checksum: a70365d13804598ad8c94cb75631f81d (MD5) Previous issue date: 2015-02-11 / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / Superconductivity one of the most intriguing physical phenomena has been extensively studied due to their potential for technological applications. Despite advances in research in physics there is still no complete theory to explain the phenomenon. We study the behavior of a superconducting system described by a multiband model. We consider the interband interaction, i.e., the interaction is between the fermions with dierent masses at dierent bands, under the inuence hybridization. Also, we study the intraband interaction with hybridization and external magnetic eld. Using the method of Green's functions of Zubarev, we calculate the superconducting order parameters with intra-and interbanda interaction at zero temperature, ie, T = 0, and for dierent temperatures of zero. Interband interaction obtained in the superconducting order parameter as a function of temperature and hybridization V. The phase diagram T versus V was also obtained. The superconducting properties, such as free energy, entropy and specic heat, were also determined in the intraband interaction. Initially, we calculate the superconducting properties in zero eld, ie, for H = 0, then we consider the presence of external magnetic eld H nonzero. obtained an implicit equation that relates the magnetic field, temperature and hybridization, which allowed us to obtain the phase diagram T versus T and T versus V . Our results show that both the hybridization V , as the external magnetic field H acts at the expense of superconductivity by suppressing it. We noticed also, and conrmed by other studies, that the intraband interaction, we have only second order transition, since the interaction interbanda, we obtained a superconducting tricritico point where we encounter a line first with a second order. Based on these results, we conclude that left a signicant contribution to research in superconductivity. / A supercondutividade, um dos fenômenos mais intrigantes da fisica, vem sendo extensivamente estudada, devido ao seu potencial para aplicações tecnológicas. Apesar do avanço nessa área de pesquisa, como a teoria BCS, teoria microscópica que explica os supercondutores convencionais, ainda não há uma teoria completa que explique os não convencionais. Neste trabalho estudamos o comportamento de um sistema supercondutor descrito por um modelo multibandas, pois é uma extensão da teoria BCS a qual descreve bem os supercondutores de baixas temperaturas. Consideramos a interação interbanda, isto é, a interação se da entre férmions que apresentam propriedades diferentes, tais como, massas distintas, ou mesma massa, mas comportamentos diferentes que se encontram em diferentes bandas, sob a influência da hibridização. Tambem, estudamos a interação intrabanda com hibridização e campo magnético externo. Usando o método das funções de Green de Zubarev, calculamos os parâmetros de ordem supercondutor para as interações intra e interbanda a temperatura nula, isto é, T = 0 (transições quânticas), e para temperaturas finitas (transições térmicas ou clássicas) afim de obtermos um estudo completo do sistema. Na interação interbanda obtivemos o parâmetro de ordem supercondutor em função da temperatura e da hibridização V . O diagrama de fase T versus V também foi obtido. As propriedades supercondutoras, tais como energia livre, entropia e calor especifico, também foram determinadas na interação intrabanda. Inicialmente, calculamos as propriedades Supercondutoras a campo nulo, isto é, para H = 0, em seguida, consideramos a presença do campo magnético externo H diferente de zero. Obtivemos uma equação implícita que relaciona o campo magnético, temperatura e hibridização, o que nos permitiu obter o diagrama de fase T versus H e T versus V . Nossos resultados mostram que tanto a hibridização V , quanto o campo magnético externo H atuam em detrimento da supercondutividade, suprimindo-a, concordando com outros trabalhos, apesar de não ser isso geral, uma vez que alguns trabalhos mostram que V contribui para a supercondutividade até um determinado valor e para outros valores, suprime-a. Percebemos também que tanto na interação interbanda, quanto na interação intrabanda temos transições de primeira e segunda ordem e um ponto tricritico, no qual temos o encontro de uma linha de primeira ordem com uma de segunda ordem.

Orientador: Sandra Augusta Santos / Dissertação (mestrado profissional) - Universidade Estadual de Campinas, Instituto de Matematica, Estatistica e Computação Cientifica / Made available in DSpace on 2018-08-10T21:01:17Z (GMT). No. of bitstreams: 1 SilvaJunior_EpitacioPedroda_M.pdf: 1234663 bytes, checksum: 67cac0299f5435bbce39b930a12c49c4 (MD5) Previous issue date: 2008 / Resumo: Este trabalho tem dois objetivos principais. O primeiro é apresentar um contexto aplicado para o uso do Teorema da Função Implícita. Este resultado permite analisar a influência da precisão dos relógios envolvidos no funcionamento do GPS (Global Positioning System), cujo receptor é usado para determinar as coordenadas de um ponto da Terra, O segundo objetivo é estabelecer algumas conexões entre conceitos da Geometria Analítica do Ensino Médio com a,do Ensino Superior, bem como com o Cálculo de Várias Variáveis, aparentemente desconectados para o aluno do Ensino Superior. Para tanto, a idéia foi partir do cálculo da área de regiões simples, como triângulos e polígonos, e chegar à computação de áreas de regiões mais sofisticadas, por meio do Teorema de 'Green. Este resultado permite justificar o funcionamento do aparelho mecânico denominado planímetro / Abstract: The objective of this work is twofold. First, it presents an applied context for using the Implicit Function Theorem. This result allows to analyze the influence of the accuracy of the clocks involved in the working of the GPS (Global Positioning System), the receiver of which is a device used to locate the position of a point on the surface of the earth. Second, it points some connections among concepts of Analytic Geometry, together with Calculus of Several Variables, apparently not linked for the university student. To achieve such goal, the idea was to start with the calculus of the area of simple regions, like triangles and polygons, and reach the computation of more sophisticated areas by using Green's theorem. This result allows to justify the working of the mechanical device called planimeter / Mestrado / Matematica / Mestre em Matemática

Estudamos o problema de valores de contorno {\'DELTA POT. 2\' u = f em \'OMEGA\', \'BETA\' u = 0 em \'PARTIAL OMEGA\', um aberto limitado \'OMEGA\' \'ESTÁ CONTIDO\' \'R POT. N\' , sob diferentes condições de contorno. As questões de existência e positividade de soluções para este problema são abordadas com condições de contorno de Dirichlet, Navier e Steklov. Deduzimos condições de contorno naturais através do estudo de um modelo para uma placa com carga estática. Estudamos ainda propriedades do primeiro autovalor de \'DELTA POT. 2\' e o problema semilinear {\'DELTA POT. 2\' u = F (u) em \'OMEGA\' u = \'PARTIAL\'u SUP . \'PARTIAL\' v = 0 em \'PARTIUAL\' \'OMEGA\', para não-linearidades do tipo F(t) = \'l t l POT. p-1\', p \' DIFERENTE\' t, p > 0. Para tal problema estudamos existência e não-existência de soluções e positividade / We study the boundary value problem {\'DELTA POT. 2\' u = f in \'OMEGA\', \'BETA\' u = 0 in \'PARTIAL OMEGA\', in a bounded open \'OMEGA\'\'THIS CONTAINED\' \'R POT. N\' , under different boundary conditions. The questions of existence and positivity of solutions for this problem are addressed with Dirichlet, Navier and Steklov boundary conditions. We deduce natural boundary conditions through the study of a model for a plate with static load. We also study properties of the first eigenvalue of \'DELTA POT. 2\' and the semi-linear problem { \'DELTA POT. 2\' e o problema semilinear {\'DELTA POT. 2\' u = F (u) in \'OMEGA\' u = \'PARTIAL\'u SUP . \'PARTIAL\' v = 0 in \'PARTIUAL\' \'OMEGA\', for non-linearities like F(t) = \'l t l POT. p-1\', p \' DIFFERENT\' t, p > 0. For such problem we study existence and non-existence of solutions and its positivity

Submitted by Renata Lopes (renatasil82@gmail.com) on 2017-02-24T17:38:27Z No. of bitstreams: 1 jonathanestebanarroyosilva.pdf: 3851364 bytes, checksum: 7341b01ce42c37de611bb2df24f9012c (MD5) / Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2017-03-06T19:29:14Z (GMT) No. of bitstreams: 1 jonathanestebanarroyosilva.pdf: 3851364 bytes, checksum: 7341b01ce42c37de611bb2df24f9012c (MD5) / Made available in DSpace on 2017-03-06T19:29:14Z (GMT). No. of bitstreams: 1 jonathanestebanarroyosilva.pdf: 3851364 bytes, checksum: 7341b01ce42c37de611bb2df24f9012c (MD5) Previous issue date: 2014-02-24 / FAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais / Este trabalho apresenta um novo esquema de marcha no tempo capaz de reduzir oscilações espúrias através de amortecimento numérico para problemas de propagação de ondas elásticas no âmbito da Aproximação Explícita de Green (\Explicit Green's Approach" (ExGA)) [1]. A expressão integral referente ao ExGA é escrita em termos das funções de Green e Degrau. Seus cálculos são realizados de forma independente por meio da formulação semi-discreta do MEF e o método Diferença Central. Devido ao princípio da causalidade, as funções de Green e Degrau possuem um suporte compacto ao redor dos pontos fonte para um intervalo de tempo suficientemente pequeno que é usualmente Empregado nos métodos explícitos clássicos de integração temporal aplicados à modelagem de propagação de ondas. Neste sentido, as funções de Green e Degrau em t = Δt podem ser eficientemente calculadas localmente através de subdomínios pequenos. Cada subdomínio local com sua respectiva submalha cobre somente pontos nodais onde os valores das funções de Green e Degrau são não nulos. A precisão e eficiência da metodologia proposta é demostrada ao analisar três exemplos numéricos. / This work presents a new time-marching scheme able to reduce spurious oscillations by means of numerical damping for elastic wave propagation problems in the framework of the Explicit Green's Approach (ExGA) [1]. The integral expression concerned with the ExGA is written in terms of the Green's and the Step response functions. Their computations are carried out independently by means of the semidiscrete FEM and the Central difference method. Due to the principle of causality, the Green's and Step response functions admit a compact support surround the source points for a small enough time step that is usually employed in common explicit time integration methods applied to wave propagation modeling. In this sense, the Green's and Step response functions at t = Δt can be e ciently computed locally through small subdomains. Each local subdomain with its respective submesh covers only nodes whose Green's and Step response function values do not vanish. The accuracy and e ciency of the proposed methodology are demonstrated by analyzing three numerical examples.

Une méthode améliorant le calcul des facteurs d’intensité de contrainte en mode I par hybridation de deux fonctions de poids est présentée et appliquée aux cas de fissures elliptiques sous différents chargements. L'hybridation consiste à utiliser l'une ou l'autre des deux fonctions dans la zone de la fissure où la fonction est la plus efficace. La délimitation des zones est faite après optimisation des paramètres géométriques de la fissure. Afin d’étendre l’utilisation de cette approche à la modélisation des fissures semi-elliptiques, son couplage avec la PWFM (Point Weight Function Method) pour tenir compte de l’effet de la surface libre a été réalisé. L’utilisation des lois de propagation de fissure (de Paris et de Sih) a permis l’extension de l’application de l’approche d’hybridation aux problèmes de fatigue. La qualité des résultats trouvés pour les fissures elliptiques et semi-elliptiques est bonne aussi bien pour les chargements quasi-statiques que pour ceux de fatigue. / A method improving the evaluation of the stress intensity factor by hybridization of two weight functions is presented and applied for embedded elliptical cracks under various loadings. The hybridization consists in using one or another function in the zone of the crack where it is the most efficient. The delimitation of the zones is achieved after optimizing the geometrical parameters of the crack. In order to extend the use of this approach to the modeling of semi-elliptical surface cracks, its coupling with the PWFM (Point Weight Function Method) to take account of the free edge effect were carried out. The use of the fatigue crack growth laws (Paris law and Sih law) allowed the extension of the application of the hybrid approach to the fatigue problems. The quality of the results found for the elliptical and the semi-elliptical cracks is good for the static loads as well as for the fatigue ones.

This work analyzes partial slip contact problems in the theory of linear viscoelasticity using both the semi-analytical method and nite element method. Such problems arise in metal-polymer contacts in orthopedic implants and similar applications. The boundary conditions of such problems are inherently mixed and vary with time, thus restricting the use of classical correspondence principle, which have been the basic approach for most of the solved problems in viscoelasticity. In the present semi-analytical approach, the governing equations for the vis-coelastic partial-slip contact are formulated as a pair of coupled Singular Integral Equations (SIEs) for a pin-plate geometry using the viscoelastic analogues of Green's functions. The formulation is entirely in the time-domain, avoiding Laplace transforms. Both Coulomb and hysteretic e ects are considered, and arbitrary load histories, including the bidirectional pin loads and remote plate stresses, are allowed. Moreover, the contact patch is allowed to advance and recede with no restrictions. The presence of viscoelastic behavior necessitates the application of the stick zone boundary condition in convolved form, and also introduces additional convolved gap terms in the governing equations, which are not present in the elastic case. Transient, as well as steady-state contact tractions, are obtained under load-hold, unload-hold, unload-reload, cyclic bidirectional (fretting) and remote plate loading for a three-element delayed elastic solid. A wide range of loads, loading rates, friction coeficients and the conforming nature of the contact are considered. The contact size, stick-zone size, indenter approach, maximum pressure, Coulomb energy dissipation are tracked during fretting. The edge-of-contact stresses and the subsurface stresses for the viscoelastic plate due to the contact tractions are determined by solving an equivalent traction boundary value problem. It is found that the viscoelastic fretting contact tractions for materials with delayed elastic nature shakedown just like their elastic counterparts. However, the number of cycles to attain shakedown states is strongly dependent on the ratio of the load cycle time to the relaxation time constant of the viscoelastic material. In monotonic load-hold case, the viscoelastic steady-state tractions agree well with the tractions from an equivalent elastic analysis using the shear modulus at infinite time. Whereas, the viscoelastic fretting tractions in shakedown differ considerably from their elastic counterparts. This is due to the fact that the contact patch does not increase monotonically in fretting-type(cyclic) loading. Hence, an approximate elastic analysis misleads to an incorrect edge-of-contact stresses. During fretting, the edge-of-contact hoop stress also shakedown and reaches its peak value at the trailing edge-of-contact when the horizontal pin load reaches its maximum. Moreover, the peak tensile of the edge-of-contact hoop stress increases with the increase in the Coulomb friction coefficient. In cyclic loading, Coulomb dissipation in a cycle at steady-state is almost independent of the rate at which the load is cycled. However, the viscous energy dissipated in a cycle is a strong function of the ratio of the load cycle time to the relaxation time constant. The steady-state cyclic hysteretic energy dissipation typically dominates the cyclic Coulomb dissipation, with a more pronounced difference at slower load cycling. However, despite this, it is essential to model an accurate viscoelastic fretting contacts including the effects of both viscous and Coulomb friction dissipation to obtain accurate contact stresses. A 12-element generalized Maxwell solid with long time scales representing a well characterized viscoelastic material like PMMA is also studied. The material chosen is of slowly relaxing nature and the ratio of the instantaneous shear modulus(G0) to the modulus at the infinite time(G1) is almost equal to 1000. In such cases, the material is effectively always in a transient state, with no steady edge-of-contact. As a consequence, the location of the peak hoop stress keeps on shifting when the load cycle is repeated. Interestingly, the rate at which the viscoelastic material relaxes affects the contact tractions. It is observed that the rapidly relaxing materials show qualitatively different tractions in the partial slip, with local traction spikes close to the edges-of-contact and concomitant high-stress gradients. On the other hand, finite element method is also used to analyze the partial slip viscoelastic contacts. In FEA, the pin-plate geometry is modeled using a custom mesh maker, where a 2D-continuum plane strain element is used for the plate and rigid element for the pin. The technique uses 'ABAQUS Standard' solver to solve the contact problem. Finite element analysis for a wide range of loads comparable with the SIE technique is performed. The tractions and contact sizes for various load cases such as unload-reload, fretting-type cyclic loads from both SIE and FEA agrees well. In certain conditions, there exist multiple contact arcs or stick zones that are currently difficult to solve with SIE's. However, such problems are treated using FEA and one such problem is illustrated.

The development of materials with tailored functionalities and with continuously shrinking linear dimensions towards (and below) the nanoscale is not only going to revolutionize state of the art fabrication technologies, but also the computational methodologies used to model the materials properties. Specifically, atomistic methodologies are becoming increasingly relevant in the field of materials science as a fundamental tool in gaining understanding on as well as for pre-designing (in silico material design) the behavior of nanoscale materials in response to external stimuli. The major long-term goal of atomistic modelling is to obtain structure-function relationships at the nanoscale, i.e. to correlate a definite response of a given physical system with its specific atomic conformation and ultimately, with its chemical composition and electronic structure. This has clearly its pendant in the development of bottom-up fabrication technologies, which also require a detailed control and fine tuning of physical and chemical properties at sub-nanometer and nanometer length scales. The current work provides an overview of different applications of atomistic approaches to the study of nanoscale materials. We illustrate how the use of first-principle based electronic structure methodologies, quantum mechanical based molecular dynamics, and appropriate methods to model the electrical and thermal response of nanoscale materials, provides a solid starting point to shed light on the way such systems can be manipulated to control their electrical, mechanical, or thermal behavior. Thus, some typical topics addressed here include the interplay between mechanical and electronic degrees of freedom in carbon based nanoscale materials with potential relevance for designing nanoscale switches, thermoelectric properties at the single-molecule level and their control via specific chemical functionalization, and electrical and spin-dependent properties in biomaterials. We will further show how phenomenological models can be efficiently applied to get a first insight in the behavior of complex nanoscale systems, for which first principle electronic structure calculations become computationally expensive. This will become especially clear in the case of biomolecular systems and organic semiconductors.

Les excellentes propriétés électroniques, thermiques et mécaniques du graphène confèrent à ce matériau planaire (bi-dimensionnel) un énorme potentiel applicatif, notamment en électronique. Néanmoins, ce matériau présente de sérieux inconvénients qui pourraient limiter son champ d'applications. Par exemple, sa structure de bandes électronique sans bande interdite rend difficile le blocage du courant dans un dispositif. De plus, pour les applications thermoélectriques, sa forte conductance thermique est aussi une forte limitation. Il y a donc beaucoup de défis à relever pour rendre ce matériau vraiment utile pour des applications. Cette thèse porte sur l'étude des propriétés électroniques et thermoélectriques dans les hétérostructures planaires constituées de graphène et de nitrure de bore hexagonal (BN). Différentes configuration de ce nouveau matériau hybride permettent de moduler la bande interdite, la conductance thermique et le coefficient Seebeck. Cette étude a été menée au moyen de calculs atomistiques basés sur les approches des liaisons fortes (TB) et du modèle à constantes de force (FC). Le transport d'électrons et de phonons a été simulé dans le formalisme des fonctions de Green hors équilibre. Les résultats montrent que, grâce à la modulation de la bande interdite, des transistors à base d'hétérostructures de BN et de graphène peuvent présenter un très bon rapport courant passant / bloqué d'environ 10⁴ à 10⁵. En outre, nous montrons l'existence d'états quantiques hybrides à l'interface zigzag entre le graphène et le BN donnant lieu à des propriétés de transport électronique très intéressantes. Enfin, ce travail montre qu'en agençant correctement des nano-flocons de BN sur les côtés d'un nanoruban de graphène, la conductance des phonons peut être fortement réduite alors que l'ouverture de bande interdite conduit à un accroissement important du coefficient Seebeck. Il en résulte qu'un facteur de mérite thermoélectrique ZT plus grand que l'unité peut être réalisé à température ambiante. / Graphene is a fascinating 2-dimensional material exhibiting outstanding electronic, thermal and mechanical properties. Is this expected to have a huge potential for a wide range of applications, in particular in electronics. However, this material also suffers from a strong drawback for most electronic devices due to the gapless character of its band structure, which makes it difficult to switch off the current. For thermoelectric applications, the high thermal conductance of this material is also a strong limitation. Hence, many challenges have to be taken up to make it useful for actual applications. This thesis work focuses on the theoretical investigation of a new strategy to modulate and control the properties of graphene that consists in assembling in-plane heterostructures of graphene and Boron Nitride (BN). It allows us to tune on a wide range the bandgap, the thermal conductance and the Seebeck coefficient of the resulting hybrid nanomaterial. The work is performed using atomistic simulations based on tight binding (TB), force constant (FC) models for electrons and phonons, respectively, coupled with the Green's function formalism for transport calculation. The results show that thanks to the tunable bandgap, it is possible to design graphene/BN based transistors exhibiting high on/off current ratio in the range 10⁴-10⁵. We also predict the existence hybrid quantum states at the zigzag interface between graphene and BN with appealing electron transport. Finally this work shows that by designing properly a graphene ribbon decorated with BN nanoflakes, the phonon conductance is strongly reduced while the bandgap opening leads to significant enhancement of Seebeck coefficient. It results in a thermoelectric figure of merit ZT larger than one at room temperature.

The development of materials with tailored functionalities and with continuously shrinking linear dimensions towards (and below) the nanoscale is not only going to revolutionize state of the art fabrication technologies, but also the computational methodologies used to model the materials properties. Specifically, atomistic methodologies are becoming increasingly relevant in the field of materials science as a fundamental tool in gaining understanding on as well as for pre-designing (in silico material design) the behavior of nanoscale materials in response to external stimuli. The major long-term goal of atomistic modelling is to obtain structure-function relationships at the nanoscale, i.e. to correlate a definite response of a given physical system with its specific atomic conformation and ultimately, with its chemical composition and electronic structure. This has clearly its pendant in the development of bottom-up fabrication technologies, which also require a detailed control and fine tuning of physical and chemical properties at sub-nanometer and nanometer length scales. The current work provides an overview of different applications of atomistic approaches to the study of nanoscale materials. We illustrate how the use of first-principle based electronic structure methodologies, quantum mechanical based molecular dynamics, and appropriate methods to model the electrical and thermal response of nanoscale materials, provides a solid starting point to shed light on the way such systems can be manipulated to control their electrical, mechanical, or thermal behavior. Thus, some typical topics addressed here include the interplay between mechanical and electronic degrees of freedom in carbon based nanoscale materials with potential relevance for designing nanoscale switches, thermoelectric properties at the single-molecule level and their control via specific chemical functionalization, and electrical and spin-dependent properties in biomaterials. We will further show how phenomenological models can be efficiently applied to get a first insight in the behavior of complex nanoscale systems, for which first principle electronic structure calculations become computationally expensive. This will become especially clear in the case of biomolecular systems and organic semiconductors.

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第18801号 / 理博第4059号 / 新制||理||1584(附属図書館) / 31752 / 京都大学大学院理学研究科地球惑星科学専攻 / (主査)教授 岩田 知孝, 教授 平原 和朗, 准教授 久家 慶子 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DGAM