We analyze a number of systems of evolution equations that arise in the study of physical chemistry. First we discuss the well-posedness of a system of mixing compressible barotropic multicomponent flows. We discuss the regularity of these variational solutions, their existence and uniqueness, and we analyze the emergence of a novel type of entropy that is derived for the system of equations. Next we present a numerical scheme, in the form of a discontinuous Galerkin (DG) finite element method, to model this compressible barotropic multifluid. We find that the DG method provides stable and accurate solutions to our system, and that further, these solutions are energy consistent; which is to say that they satisfy the classical entropy of the system in addition to an additional integral inequality. We discuss the initial-boundary problem and the existence of weak entropy at the boundaries. Next we extend these results to include more complicated transport properties (i.e. mass diffusion), where exotic acoustic and chemical inlets are explicitly shown. We continue by developing a mixed method discontinuous Galerkin finite element method to model quantum hydrodynamic fluids, which emerge in the study of chemical and molecular dynamics. These solutions are solved in the conservation form, or Eulerian frame, and show a notable scale invariance which makes them particularly attractive for high dimensional calculations. Finally we implement a wide class of chemical reactors using an adapted discontinuous Galerkin finite element scheme, where reaction terms are analytically integrated locally in time. We show that these solutions, both in stationary and in flow reactors, show remarkable stability, accuracy and consistency. / text

In the Thesis, linear stochastic differential equations in a Hilbert space driven by a cylindrical fractional Brownian motion with the Hurst parameter in the interval H < 1/2 are considered. Under the conditions on the range of the diffusion coefficient, existence of the mild solution is proved together with measurability and continuity. Existence of a limiting distribution is shown for exponentially stable semigroups. The theory is modified for the case of analytical semigroups. In this case, the conditions for the diffusion coefficient are weakened. The scope of the theory is illustrated on the Heath-Jarrow-Morton model, the wave equation, and the heat equation. 1

Linear Evolution Equations (LEE) have been studied extensively over many years. Their extension in the field of fractional calculus have been defined by Dαu(x, t) = Au(x, t), where α is the fractional order and Dα is a generalized differential operator. Two types of generalized differential operators were applied to the LEE in the state-of-the-art, producing the Riemann-Liouville and the Caputo time fractional evolution equations. However the extension of the new Caputo-Fabrizio derivative (CFFD) to these equations has not been developed. This work investigates existing fractional derivative evolution equations and analyze the generalized linear evolution equations with non-singular ker- nel derivative. The well-posedness of the extended CFFD linear evolution equation is demonstrated by proving the existence of a solution, the uniqueness of the existing solu- tion, and finally the continuous dependence of the behavior of the solution on the data and parameters. Extended evolution equations with CFFD are applied to kinetics, heat diffusion and dispersion of shallow water waves using MATLAB simulation software for validation purpose. / Mathematical Science / M Sc. (Applied Mathematics)

Submitted by Johnny Rodrigues (johnnyrodrigues@ufcg.edu.br) on 2018-07-17T18:11:25Z No. of bitstreams: 1 FERNANDA CLARA DE FRANÇA SILVA - DISSERTAÇÃO PPGMAT 2007..pdf: 1721266 bytes, checksum: 8fe11d5b6d0c4698bb44035e0066f16a (MD5) / Made available in DSpace on 2018-07-17T18:11:25Z (GMT). No. of bitstreams: 1 FERNANDA CLARA DE FRANÇA SILVA - DISSERTAÇÃO PPGMAT 2007..pdf: 1721266 bytes, checksum: 8fe11d5b6d0c4698bb44035e0066f16a (MD5) Previous issue date: 2007-12 / CNPq / Capes / Neste trabalho, apresentamos uma introdução à Teoria de semigrupos analíticos de operadores lineares não limitados, sendo desenvolvidas algumas aplicações desta Teoria na análise da existência de solução para as equações Diferenciais Ordinárias em espaços de Banach da forma u1(t)−Au(t)= f(t,u(t))+K(u)(t), onde f e K são funções dadas e A é um operador linear não limitado. / In this work we present an introduction to the Theory of analytical semigroups of unbounded linear operators, with some applications of this theory to the existence of solutions for Ordinary Differential equations in Banach spaces of form: u1(t)−Au(t)= f(t,u(t))+K(u)(t), where f e K are given functions and A is an unbounded operator.

Dans le cadre de la thèse des modèles physico-mathématiques pour des microsystèmes électromécaniques avec une permittivité générale sont développés et analysés par des méthodes mathématiques modernes du domaine des équations aux dérivées partielles. En particulier ces systèmes sont à frontière libre et pour conséquence difficiles à traiter. Des méthodes numériques ont été développées pour valider les résultats analytiques obtenus. / In the framework of this thesis physical/mathematical models for microelectromechanical systems with general permittivity have been developed and analysed with modern mathematical methods from the domain of partial differential equations. In particular these systems are moving boundary problems and thus difficult to handle. Numerical methods have been developed in order to validate the obtained analytical results.

A numerical treatment of non-linear higher-order geometric evolution equations with the level set and the finite element method is presented. The isotropic, weak anisotropic and strong anisotropic situation is discussed. Most of the equations considered in this work arise from the field of thin film growth. A short introduction to the subject is given. Four different models are discussed: mean curvature flow, surface diffusion, a kinetic model, which combines the effects of mean curvature flow and surface diffusion and includes a further kinetic component, and an adatom model, which incorporates in addition free adatoms. As an introduction to the numerical schemes, first the isotropic and weak anisotropic situation is considered. Then strong anisotropies (non-convex anisotropies) are used to simulate the phenomena of faceting and coarsening. The experimentally observed effect of corner and edge roundings is reached in the simulation through the regularization of the strong anisotropy with a higher-order curvature term. The curvature regularization leads to an increase by two in the order of the equations, which results in highly non-linear equations of up to 6th order. For the numerical solution, the equations are transformed into systems of second order equations, which are solved with a Schur complement approach. The adatom model constitutes a diffusion equation on a moving surface. An operator splitting approach is used for the numerical solution. In difference to other works, which restrict to the isotropic situation, also the anisotropic situation is discussed and solved numerically. Furthermore, a treatment of geometric evolution equations on implicitly given curved surfaces with the level set method is given. In particular, the numerical solution of surface diffusion on curved surfaces is presented. The equations are discretized in space by standard linear finite elements. For the time discretization a semi-implicit discretization scheme is employed. The derivation of the numerical schemes is presented in detail, and numerous computational results are given for the 2D and 3D situation. To keep computational costs low, the finite element grid is adaptively refined near the moving curves and surfaces resp. A redistancing algorithm based on a local Hopf-Lax formula is used. The algorithm has been extended by the authors to the 3D case. A detailed description of the algorithm in 3D is presented in this work. / In der Arbeit geht es um die numerische Behandlung nicht-linearer geometrischer Evolutionsgleichungen höherer Ordnung mit Levelset- und Finite-Elemente-Verfahren. Der isotrope, schwach anisotrope und stark anisotrope Fall wird diskutiert. Die meisten in dieser Arbeit betrachteten Gleichungen entstammen dem Gebiet des Dünnschicht-Wachstums. Eine kurze Einführung in dieses Gebiet wird gegeben. Es werden vier verschiedene Modelle diskutiert: mittlerer Krümmungsfluss, Oberflächendiffusion, ein kinetisches Modell, welches die Effekte des mittleren Krümmungsflusses und der Oberflächendiffusion kombiniert und zusätzlich eine kinetische Komponente beinhaltet, und ein Adatom-Modell, welches außerdem freie Adatome berücksichtigt. Als Einführung in die numerischen Schemata, wird zuerst der isotrope und schwach anisotrope Fall betrachtet. Anschließend werden starke Anisotropien (nicht-konvexe Anisotropien) benutzt, um Facettierungs- und Vergröberungsphänomene zu simulieren. Der in Experimenten beobachtete Effekt der Ecken- und Kanten-Abrundung wird in der Simulation durch die Regularisierung der starken Anisotropie durch einen Krümmungsterm höherer Ordnung erreicht. Die Krümmungsregularisierung führt zu einer Erhöhung der Ordnung der Gleichung um zwei, was hochgradig nicht-lineare Gleichungen von bis zu sechster Ordnung ergibt. Für die numerische Lösung werden die Gleichungen auf Systeme zweiter Ordnungsgleichungen transformiert, welche mit einem Schurkomplement-Ansatz gelöst werden. Das Adatom-Modell bildet eine Diffusionsgleichung auf einer bewegten Fläche. Zur numerischen Lösung wird ein Operatorsplitting-Ansatz verwendet. Im Unterschied zu anderen Arbeiten, die sich auf den isotropen Fall beschränken, wird auch der anisotrope Fall diskutiert und numerisch gelöst. Außerdem werden geometrische Evolutionsgleichungen auf implizit gegebenen gekrümmten Flächen mit Levelset-Verfahren behandelt. Insbesondere wird die numerische Lösung von Oberflächendiffusion auf gekrümmten Flächen dargestellt. Die Gleichungen werden im Ort mit linearen Standard-Finiten-Elementen diskretisiert. Als Zeitdiskretisierung wird ein semi-implizites Diskretisierungsschema verwendet. Die Herleitung der numerischen Schemata wird detailliert dargestellt, und zahlreiche numerische Ergebnisse für den 2D und 3D Fall sind gegeben. Um den Rechenaufwand gering zu halten, wird das Finite-Elemente-Gitter adaptiv an den bewegten Kurven bzw. den bewegten Flächen verfeinert. Es wird ein Redistancing-Algorithmus basierend auf einer lokalen Hopf-Lax Formel benutzt. Der Algorithmus wurde von den Autoren auf den 3D Fall erweitert. In dieser Arbeit wird der Algorithmus für den 3D Fall detailliert beschrieben.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / In this work, we first develop a brief theoretical approach of semigroups of bounded linear operators, culminating on Hille-Yosida Theorem. Then we used the extrapolation theory to study su cient conditions to obtain existence and uniqueness of Almost Automorphic and Pseudo-Almost Automorphic mild solutions, through the Banach's Fixed Point Theorem for the semilinear evolution equation x(t) = Ax(t) + f(t; x(t)); t E R, where A : D(A) X ! X is a Hille-Yosida operator of negative type and not necessary dense domain on the Banach space X. / Neste trabalho, desenvolvemos inicialmente uma breve abordagem te orica dos semigrupos de operadores lineares limitados, culminando no Teorema de Hille-Yosida. Em seguida, usamos a teoria de extrapolação a fim de estudar condições suficientes para obtermos a existência e a unicidade de soluções brandas Quase Automórficas e Pseudo-quase Automórficas, por meio do Teorema do Ponto Fixo de Banach, para a equação de evolução semilinear x(t) = Ax(t) + f(t; x(t)); t E R, onde A : D(A) X ! X é um operador de Hille-Yosida de tipo negativo e dom ínio não necessariamente denso, definido no espaço de Banach X.

A numerical treatment of non-linear higher-order geometric evolution equations with the level set and the finite element method is presented. The isotropic, weak anisotropic and strong anisotropic situation is discussed. Most of the equations considered in this work arise from the field of thin film growth. A short introduction to the subject is given. Four different models are discussed: mean curvature flow, surface diffusion, a kinetic model, which combines the effects of mean curvature flow and surface diffusion and includes a further kinetic component, and an adatom model, which incorporates in addition free adatoms. As an introduction to the numerical schemes, first the isotropic and weak anisotropic situation is considered. Then strong anisotropies (non-convex anisotropies) are used to simulate the phenomena of faceting and coarsening. The experimentally observed effect of corner and edge roundings is reached in the simulation through the regularization of the strong anisotropy with a higher-order curvature term. The curvature regularization leads to an increase by two in the order of the equations, which results in highly non-linear equations of up to 6th order. For the numerical solution, the equations are transformed into systems of second order equations, which are solved with a Schur complement approach. The adatom model constitutes a diffusion equation on a moving surface. An operator splitting approach is used for the numerical solution. In difference to other works, which restrict to the isotropic situation, also the anisotropic situation is discussed and solved numerically. Furthermore, a treatment of geometric evolution equations on implicitly given curved surfaces with the level set method is given. In particular, the numerical solution of surface diffusion on curved surfaces is presented. The equations are discretized in space by standard linear finite elements. For the time discretization a semi-implicit discretization scheme is employed. The derivation of the numerical schemes is presented in detail, and numerous computational results are given for the 2D and 3D situation. To keep computational costs low, the finite element grid is adaptively refined near the moving curves and surfaces resp. A redistancing algorithm based on a local Hopf-Lax formula is used. The algorithm has been extended by the authors to the 3D case. A detailed description of the algorithm in 3D is presented in this work. / In der Arbeit geht es um die numerische Behandlung nicht-linearer geometrischer Evolutionsgleichungen höherer Ordnung mit Levelset- und Finite-Elemente-Verfahren. Der isotrope, schwach anisotrope und stark anisotrope Fall wird diskutiert. Die meisten in dieser Arbeit betrachteten Gleichungen entstammen dem Gebiet des Dünnschicht-Wachstums. Eine kurze Einführung in dieses Gebiet wird gegeben. Es werden vier verschiedene Modelle diskutiert: mittlerer Krümmungsfluss, Oberflächendiffusion, ein kinetisches Modell, welches die Effekte des mittleren Krümmungsflusses und der Oberflächendiffusion kombiniert und zusätzlich eine kinetische Komponente beinhaltet, und ein Adatom-Modell, welches außerdem freie Adatome berücksichtigt. Als Einführung in die numerischen Schemata, wird zuerst der isotrope und schwach anisotrope Fall betrachtet. Anschließend werden starke Anisotropien (nicht-konvexe Anisotropien) benutzt, um Facettierungs- und Vergröberungsphänomene zu simulieren. Der in Experimenten beobachtete Effekt der Ecken- und Kanten-Abrundung wird in der Simulation durch die Regularisierung der starken Anisotropie durch einen Krümmungsterm höherer Ordnung erreicht. Die Krümmungsregularisierung führt zu einer Erhöhung der Ordnung der Gleichung um zwei, was hochgradig nicht-lineare Gleichungen von bis zu sechster Ordnung ergibt. Für die numerische Lösung werden die Gleichungen auf Systeme zweiter Ordnungsgleichungen transformiert, welche mit einem Schurkomplement-Ansatz gelöst werden. Das Adatom-Modell bildet eine Diffusionsgleichung auf einer bewegten Fläche. Zur numerischen Lösung wird ein Operatorsplitting-Ansatz verwendet. Im Unterschied zu anderen Arbeiten, die sich auf den isotropen Fall beschränken, wird auch der anisotrope Fall diskutiert und numerisch gelöst. Außerdem werden geometrische Evolutionsgleichungen auf implizit gegebenen gekrümmten Flächen mit Levelset-Verfahren behandelt. Insbesondere wird die numerische Lösung von Oberflächendiffusion auf gekrümmten Flächen dargestellt. Die Gleichungen werden im Ort mit linearen Standard-Finiten-Elementen diskretisiert. Als Zeitdiskretisierung wird ein semi-implizites Diskretisierungsschema verwendet. Die Herleitung der numerischen Schemata wird detailliert dargestellt, und zahlreiche numerische Ergebnisse für den 2D und 3D Fall sind gegeben. Um den Rechenaufwand gering zu halten, wird das Finite-Elemente-Gitter adaptiv an den bewegten Kurven bzw. den bewegten Flächen verfeinert. Es wird ein Redistancing-Algorithmus basierend auf einer lokalen Hopf-Lax Formel benutzt. Der Algorithmus wurde von den Autoren auf den 3D Fall erweitert. In dieser Arbeit wird der Algorithmus für den 3D Fall detailliert beschrieben.

<p>Doktorska disertacija je posvećena re&scaron;avanju Ko&scaron;ijevog problema odabranih klasa frakcionih diferencijalnih jednačina u okviru Kolomboovih prostora uop&scaron;tenih funkcija. U prvom delu disertacije razmatrane su nehomogene evolucione jednačine sa prostorno frakcionim diferencijalnim operatorima reda 0 &lt; &alpha; &lt; 2 i koeficijentima koji zavise od x i t. Ova klasa jednačina je aproksimativno re&scaron;avana, tako &scaron;to je umesto početne jednačine razmatrana aproksimativna jednačina data preko regularizovanih frakcionih izvoda, odnosno, njihovih regularizovanih množitelja. Za re&scaron;avanje smo koristili dobro poznate uop&scaron;tene uniformno neprekidne polugrupe operatora. U drugom delu disertacije aproksimativno su re&scaron;avane nehomogene frakcione evolucione jednačine sa Kaputovim<br />frakcionim izvodom reda 0 &lt; &alpha; &lt; 2, linearnim, zatvorenim i gusto definisanim<br />operatorom na prostoru Soboljeva celobrojnog reda i koeficijentima koji zavise<br />od x. Odgovarajuća aproksimativna jednačina sadrži uop&scaron;teni operator asociran sa polaznim operatorom, dok su re&scaron;enja dobijena primenom, za tu svrhu&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<br />u disertaciji konstruisanih, uop&scaron;tenih uniformno neprekidnih operatora re&scaron;enja.<br />U oba slučaja ispitivani su uslovi koji obezbeduju egzistenciju i jedinstvenost<br />re&scaron;enja Ko&scaron;ijevog problema na odgovarajućem Kolomboovom prostoru.</p> / <p>Colombeau spaces of generalized functions. In the firs part, we studied inhomogeneous evolution equations with space fractional differential operators of order 0 &lt; &alpha; &lt; 2 and variable coefficients depending on x and t. This class of equations is solved&nbsp; approximately, in such a way that instead of the originate equation we considered the corresponding approximate equation given by regularized fractional derivatives, i.e. their&nbsp; regularized multipliers. In the solving procedure we used a well-known generalized uniformly continuous semigroups of operators. In the second part, we solved approximately inhomogeneous fractional evolution equations with Caputo fractional derivative of order 0 &lt; &alpha; &lt; 2, linear, closed and densely defined operator in Sobolev space of integer order and variable coefficients depending on x. The corresponding approximate equation&nbsp;&nbsp; is a given by the generalized operator associated to the originate&nbsp; operator, while the solutions are obtained by using generalized uniformly continuous solution operators, introduced and developed for that purpose. In both cases, we provided the conditions that ensure the existence and uniqueness solutions of the Cauchy problem in some Colombeau spaces.</p>