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The aim of this work is to provide further insight into the qualitative behavior of mechanical systems that are well described by Lennard-Jones type interactions on an atomistic scale. By means of Gamma-convergence techniques, we study the continuum limit of one-dimensional chains of atoms with finite range interactions of Lennard-Jones type, including the classical Lennard-Jones potentials. So far, explicit formula for the continuum limit were only available for the case of nearest and next-to-nearest neighbour interactions. In this work, we provide an explicit expression for the continuum limit in the case of finite range interactions. The obtained homogenization formula is given by the convexification of a Cauchy-Born energy density. Furthermore, we study rescaled energies in which bulk and surface contributions scale in the same way. The related discrete-to-continuum limit yields a rigorous derivation of a one-dimensional version of Griffith' fracture energy and thus generalizes earlier derivations for nearest and next-to-nearest neighbors to the case of finite range interactions. A crucial ingredient to our proofs is a novel decomposition of the energy that allows for re fined estimates.
A mathematical optimal-control tumor therapy framework consisting of radio- and anti-angiogenesis control strategies that are included in a tumor growth model is investigated. The governing system, resulting from the combination of two well established models, represents the differential constraint of a non-smooth optimal control problem that aims at reducing the volume of the tumor while keeping the radio- and anti-angiogenesis chemical dosage to a minimum. Existence of optimal solutions is proved and necessary conditions are formulated in terms of the Pontryagin maximum principle. Based on this principle, a so-called sequential quadratic Hamiltonian (SQH) method is discussed and benchmarked with an “interior point optimizer―a mathematical programming language” (IPOPT-AMPL) algorithm. Results of numerical experiments are presented that successfully validate the SQH solution scheme. Further, it is shown how to choose the optimisation weights in order to obtain treatment functions that successfully reduce the tumor volume to zero.
Lagrange Multiplier Methods for Constrained Optimization and Variational Problems in Banach Spaces
(2018)
This thesis is concerned with a class of general-purpose algorithms for constrained minimization problems, variational inequalities, and quasi-variational inequalities in Banach spaces.
A substantial amount of background material from Banach space theory, convex analysis, variational analysis, and optimization theory is presented, including some results which are refinements of those existing in the literature. This basis is used to formulate an augmented Lagrangian algorithm with multiplier safeguarding for the solution of constrained optimization problems in Banach spaces. The method is analyzed in terms of local and global convergence, and many popular problem classes such as nonlinear programming, semidefinite programming, and function space optimization are shown to be included as special cases of the general setting.
The algorithmic framework is then extended to variational and quasi-variational inequalities, which include, by extension, Nash and generalized Nash equilibrium problems. For these problem classes, the convergence is analyzed in detail. The thesis then presents a rich collection of application examples for all problem classes, including implementation details and numerical results.
This thesis discusses and proposes a solution for one problem arising from deformation quantization:
Having constructed the quantization of a classical system, one would like to understand its mathematical properties (of both the classical and quantum system). Especially if both systems are described by ∗-algebras over the field of complex numbers, this means to understand the properties of certain ∗-algebras:
What are their representations? What are the properties of these representations? How
can the states be described in these representations? How can the spectrum of the observables be
described?
In order to allow for a sufficiently general treatment of these questions, the concept of abstract O ∗-algebras is introduced. Roughly speaking, these are ∗ -algebras together with a cone of positive linear functionals on them (e.g. the continuous ones if one starts with a ∗-algebra that is endowed with a well-behaved topology). This language is then applied to two examples from deformation quantization, which will be studied in great detail.
In this thesis stability and robustness properties of systems of functional differential equations which dynamics depends on the maximum of a solution over a prehistory time interval is studied. Max-operator is analyzed and it is proved that due to its presence such kind of systems are particular case of state dependent delay differential equations with piecewise continuous delay function. They are nonlinear, infinite-dimensional and may reduce to one-dimensional along its solution. Stability analysis with respect to input is accomplished by trajectory estimate and via averaging method. Numerical method is proposed.
This thesis considers a model of a scalar partial differential equation in the presence of a singular source term, modeling the interaction between an inviscid fluid represented by the Burgers equation and an arbitrary, finite amount of particles moving inside the fluid, each one acting as a point-wise drag force with a particle related friction constant.
\begin{align*}
\partial_t u + \partial_x (u^2/2) &= \sum_{i \in N(t)} \lambda_i \Big(h_i'(t)-u(t,h_i(t)\Big)\delta(x-h_i(t))
\end{align*}
The model was introduced for the case of a single particle by Lagoutière, Seguin and Takahashi, is a first step towards a better understanding of interaction between fluids and solids on the level of partial differential equations and has the unique property of considering entropy admissible solutions and the interaction with shockwaves.
The model is extended to an arbitrary, finite number of particles and interactions like merging, splitting and crossing of particle paths are considered.
The theory of entropy admissibility is revisited for the cases of interfaces and discontinuous flux conservation laws, existing results are summarized and compared, and adapted for regions of particle interactions. To this goal, the theory of germs introduced by Andreianov, Karlsen and Risebro is extended to this case of non-conservative interface coupling.
Exact solutions for the Riemann Problem of particles drifting apart are computed and analysis on the behavior of entropy solutions across the particle related interfaces is used to determine physically relevant and consistent behavior for merging and splitting of particles. Well-posedness of entropy solutions to the Cauchy problem is proven, using an explicit construction method, L-infinity bounds, an approximation of the particle paths and compactness arguments to obtain existence of entropy solutions. Uniqueness is shown in the class of weak entropy solutions using almost classical Kruzkov-type analysis and the notion of L1-dissipative germs.
Necessary fundamentals of hyperbolic conservation laws, including weak solutions, shocks and rarefaction waves and the Rankine-Hugoniot condition are briefly recapitulated.
Ill-posed optimization problems appear in a wide range of mathematical applications, and their numerical solution requires the use of appropriate regularization techniques. In order to understand these techniques, a thorough analysis is inevitable.
The main subject of this book are quadratic optimal control problems subject to elliptic linear or semi-linear partial differential equations. Depending on the structure of the differential equation, different regularization techniques are employed, and their analysis leads to novel results such as rate of convergence estimates.
Beatty sets (also called Beatty sequences) have appeared as early as 1772 in the astronomical studies of Johann III Bernoulli as a tool for easing manual calculations and - as Elwin Bruno Christoffel pointed out in 1888 - lend themselves to exposing intricate properties of the real irrationals. Since then, numerous researchers have explored a multitude of arithmetic properties of Beatty sets; the interrelation between Beatty sets and modular inversion, as well as Beatty sets and the set of rational primes, being the central topic of this book. The inquiry into the relation to rational primes is complemented by considering a natural generalisation to imaginary quadratic number fields.