ADV---Weiterführendes Programmieren

Anmeldung zum Seminar: Bei Interesse an der Teilnahme am Seminar im Wintersemester 2004/2005 einen Termin mit Markus Krosche (m.krosche@tu-bs.de) vereinbaren. Bei diesem Treffen wird das Thema vergeben und der Betreuer festgelegt. Die Anmeldung kann ab sofort erfolgen und endet, wenn keine Seminarplätze mehr frei sind. Die Termine für diese Veranstaltung im Wintersemester werden zu Beginn des Lehrbetriebes bekanntgegeben.

Jeder Teilnehmer muss eine schriftliche Ausarbeitung abliefern. Diese Ausarbeitung muss bis spätestens 2 Wochen vor dem Vortragstermin abgegeben werden. Wir gehen aber davon aus, dass die Teilnehmer die schriftliche Ausarbeitung schon während der Entstehungsphase dem Betreuer zeigen und mit diesem besprechen. Halten Sie regelmäigen Kontakt zu Ihrem Betreuer. Fall sich jemand längere Zeit ohne guten Grund und auf wiederholte Aufforderung hin nicht mehr meldet, so wird angenommen, dass er nicht mehr an der Arbeit interessiert ist und das Thema wird wieder anderweitig vergeben.

Die Vortragsfolien sind spätestens 1 Woche vor dem Vortragstermin abzugeben. Auch hier gilt, dass die Folien in der Entstehungsphase dem Betreuer gezeigt und mit ihm besprochen werden.

Der Vortrag soll eine Dauer von ca. 45 Min. haben mit anschließender Diskussion von ca. 5 - 10 Minuten. Es besteht Anwesenheitspflicht: Jeder Teilnehmer muss bei den Vorträgen der anderen Teilnehmer anwesend sein.

Der Arbeitsaufwand eines Seminars entspricht ungefair dem Arbeitsaufwand, den man in eine 2-stündige Vorlesung mit Übung und Hausaufgaben investieren muss. Im internationalen System wird der Aufwand mit 4 Credits bewertet. Ein Credit entspricht einem Arbeitsaufwand von 30 Stunden. Für ein Seminar sind also 120 Arbeitsstunden zu berechnen. Das sind also 3 Wochen (Mo-Fr) mit jeweils 8 Stunden Arbeit pro Tag.

In der Regel bekommen die Teilnehmer eine Veröffentlichung zu dem Thema. Wir erwarten, dass die Teilnehmer sich selbständig in die Materie einarbeiten und die entsprechende Literaturarbeit machen. Als Ergebnis dieser Phase soll ein Dokument entstehen, dass den Inhalt der Veröffentlichung in eigenen Worten zusammenfasst. Aus diesem Dokument sollen im nächsten Schritt die Folien für den Vortrag entstehen. Als weitere Anforderung besteht die Anwesenheitspflicht bei allen Vorträgen im Rahmen des Seminars.

Für die schriftliche Ausarbeitung muss Latex verwendet werden. Ein Framework dafür steht zum Download zur Verfügung. Die Folien müssen mit latex (Framework steht bereits zum Download zur Verfügung) oder mit OpenOffice (KEIN PowerPoint) erstellt werden.

• Adaptive Finite Element Method
  Keywords: error estimation/indication, adaptive discretisations, h-, p-refinement
• Elektronische Bandstrukturrechnung - Adaptive Volumenintegration
  Abstract: The tetrahedron integration method is widely applied in computer calculations of the electronic band structure in solids. The method is to be explained including the specialities in the context of solid state physics.
• Kugelgassimulation - Monte Carlo und Molekulardynamik
  Abstract: The (abstrakt) gas of hard spheres is a physical extreme found in for ex. cold noble gases. It possesses therefore pecuilar properties and requires care in the formulation of questions about the thermodynamic characteristics or crystal structure. These are to be explained an the associated computer methods eg Monte-Carlo and Molecular dynamics.
• Meshfree shape functions built by Sibson and non-Sibsonian interpolations
  Abstract: Classical numerical methods rely on shape functions defined with help of a mesh, for example the Finite Element Method. However, different ways have been developed to construct shape functions without the need for a mesh. Sibson and non-Sibsonian are examples of non-standard meshfree shape functions. The aim of this seminar is to describe how these interpolations are defined and which properties they have.
• The Natural Element Method
  The natural element method uses very special meshfree shape functions to approximate partial differential equations in a Galerkin formulation. The aim of this seminar is to describe the method and to compare it with the classical Finite Element Method.
• Direct Simulation Monte Carlo
  Abstract: In support of the study of macroscopic dynamical properties of Rarefied Gases one can use the Direct Simulation Monte Carlo (DSMC)-method. This is a particle-based simulation method for gas dynamics and can be considered as either a simplified molecular dynamics (the timescale of real molecular dynamics processes is of several orders of magnitude smaler) or as a Monte Carlo method for solving the Boltzmann equations. The DSMC-simulation method has been used for investigations of rarefied gas flows and has recently found new applications. After describing the DSMC-Method in conjunction with an novel application the candidate should draw the outline of the application range.
• Holonomic Constraints for Molecular Dynamics
  Abstract: In classic models of the molecular mechanics for Molecular Dynamics Simulations the high-frequency parts of the degree of freedoms for the bond- and angle potentials are often to be regarded as fixed. The lengths of the chemical bonds and values of the angles in molecules are considered as fixed. By the use of holonomic constrains in molecular simulation systems the bondlengths and angles are permanently restraint on an default value. For an implementation of such geometrical constrains within the molecules different Methods exits. One of them is the so called symplectical RATTLE-Algorithm, which fulfilleds in every time step the constrains by means of Lagrange multipliers. In the RATTLE a set of nonlinear equations are generated and solved iteratively for the Lagrange multipliers. The first task is to give a formulation of the symplectical RATTLE-algorithm in the framework of general hamiltonian functions and compare the RATTLE with the related SHAKE-algorithm. For complex constrains one can use other iterative solver for the Lagrange multipliers for instance the Newton-Method. Outline the advantage of the RATTLE-iteration in comparison to the Newton-iteration.
• Grid Computing: In Depth Understanding of the Architecture
  Abstract: Grid Computing is a new computer infrastructure with focus on large scale resource sharing. The aim of this seminar work is to get an in depth understanding of the underlying architecture and the dynamical processes inside Grids.
• Babel: Language Independend Code Coupling
  Abstract: Coupling simulation codes written in diffenent programming languages is an everyday business in scientific computing. Babel is a software tool which provides a solution to this kind of problem. The aim of this seminar work is to understand the software system Babel in detail.
• Splitting methods
  Abstract: In many instationary problems the spatial differential operator can be split into a sum of operators, each having it's own distinct properties. An example is a reaction diffusion system where the operator can be split into the reaction and the diffusion part. Each of them can be integrated separately taking into account the special properties of the operator (e.g. stiffness, conservativity). The method shall be explained in detail together with it's implication on the order and stability of the resulting scheme and some sample applications showing the method in practice.
• Radial basis functions
  Abstract: Radial basis function methods are modern ways to approximate multivariate functions, especially in the absence of grid data. They have been known, tested and analysed for several years now and many positive properties habe been identified. The ideas of the method shall be explained in conjunction with theoretical results about convergence rates. Furthermore examples of the application of the method shall be given.
• A computational strategy for multi-physics problems:application to poroelasticity
  Multi-physics phenomena and coupled problems usually lead to analyses which are computationally intensive. Strategies to keep the cost of these problems affordable are special interest. Generally in fluid--structure interaction problem, the partitioned algorithms are often used instead of direct analysis. Now a new strategy is being developed for solving coupled multi-physics problems which is built up on the LArge Time INcrement (LATIN) method. The proposed application concerns the consolidation of saturated porous soil, which is strongly coupled fluid-solid problem.
• Improved multi-level Newton method for fully coupled multi-physics problems
  Numerical techniques employed for coupled multi-physical domain simulation that are encountered in, i.e. aeroelastical systems, hydroelastical systems or electomechanical systems. The Newton method has been developed and frequency implemented especially in fluid-structure interaction problems. Also recently introduced the multi-level Newton method for solving multi-physics problems.
• Partitioned method of coupled multi-physics model:Application to the simulation of offshore wind turbine
  The problems of an offshore wind turbine are consist of multi-physical subsystems---the structure subsystem represents the systems of coupling rotor blades and the tower, aerodynamics subsystem represents the wind, hydrodynamics subsystem fro the ocean wave and soil dynamics subsystem represent the unbounded soil of the foundation. All subsystem could be developed independently and take the advantage of partitioned method in order to combined the subsystems to become the whole complex systems.

• Nonlinear Solver for strongly coupled Systems
  Keywords: coupling constraints, Jakobi- and Gauss-Seidel iteration, block-Newton methods
  Supervisor: Dr. Rainer Niekamp
  Student: Henning Urbat

Folien zur Seminarvergabeveranstaltung (vom 22.07.2004): seminar.pdf

Latex Folien Framework für die Präsentation: presentation.tar.gz

Latex Framework für die schriftliche Ausarbeitung: seminarausarbeitung.tar.gz

• Der goldene Weg zum perfekten Seminarvortrag