Decision‐Making in Public Good Dilemmas: Theory and Agent‐Based Simulation

In many real world contexts individuals find themselves in situations where they have to decide between options of behaviour that serve a collective purpose or behaviours which satisfy one’s private interests, ignoring the collective. In some cases the underlying social dilemma (Dawes, 1980) is solved and we observe collective action (Olson, 1965). In others social mobilisation is unsuccessful. The central topic of social dilemma research is the identification and understanding of mechanisms which yield to the observed cooperation and therefore resolve the social dilemma. It is the purpose of this thesis to contribute this research field for the case of public good dilemmas. To do so, existing work that is relevant to this problem domain is reviewed and a set of mandatory requirements is derived which guide theory and method development of the thesis. In particular, the thesis focusses on dynamic processes of social mobilisation which can foster or inhibit collective action. The basic understanding is that success or failure of the required process of social mobilisation is determined by heterogeneous individual preferences of the members of a providing group, the social structure in which the acting individuals are contained, and the embedding of the individuals in economic, political, biophysical, or other external contexts. To account for these aspects and for the involved dynamics the methodical approach of the thesis is computer simulation, in particular agent-based modelling and simulation of social systems. Particularly conductive are agent models which ground the simulation of human behaviour in suitable psychological theories of action. The thesis develops the action theory HAPPenInGS (Heterogeneous Agents Providing Public Goods) and demonstrates its embedding into different agent-based simulations. The thesis substantiates the particular added value of the methodical approach: Starting out from a theory of individual behaviour, in simulations the emergence of collective patterns of behaviour becomes observable. In addition, the underlying collective dynamics may be scrutinised and assessed by scenario analysis. The results of such experiments reveal insights on processes of social mobilisation which go beyond classical empirical approaches and yield policy recommendations on promising intervention measures in particular.

Simulation von Trocknungsprozessen empfindlicher biologischer Güter unter Berücksichtigung instationärer Randbedingungen

Bei der Auslegung von Trocknungsprozessen empfindlicher biologischer Güter spielt die Produktqualität eine zunehmend wichtige Rolle. Obwohl der Einfluss der Trocknungsparameter auf die Trocknungskinetik von Äpfeln bereits Gegenstand vieler Studien war, sind die Auswirkungen auf die Produktqualität bisher kaum bekannt. Die Untersuchung dieses Sachverhalts und die Entwicklung geeigneter Prozessstrategien zur Verbesserung der Qualität des resultierenden Produkts, waren das Ziel der vorliegenden Arbeit. In einem ersten Schritt wurden zunächst umfangreiche stationäre Grundlagenversuche durchgeführt, die zeigten, dass eine Lufttemperatur im höheren Bereich, eine möglichst hohe Luftgeschwindigkeit und eine niedrige Taupunkttemperatur zur geringsten Trocknungszeit bei gleichzeitig guter optischer Qualität führt. Die Beurteilung dieser Qualitätsveränderungen erfolgte mit Hilfe einer neu eingeführten Bezugsgröße, der kumulierten thermischen Belastung, die durch das zeitliche Integral über der Oberflächentemperatur repräsentiert wird und die Vergleichbarkeit der Versuchsergebnisse entscheidend verbessert. Im zweiten Schritt wurden die Ergebnisse der Einzelschichtversuche zur Aufstellung eines numerischen Simulationsmodells verwendet, welches sowohl die entsprechenden Transportvorgänge, als auch die Formveränderung des Trocknungsgutes berücksichtigt. Das Simulationsmodell sowie die experimentellen Daten waren die Grundlage zur anschließenden Entwicklung von Prozessstrategien für die konvektive Trocknung von Äpfeln, die die resultierende Produktqualität, repräsentiert durch die Produktfarbe und –form, verbessern und gleichzeitig möglichst energieeffizient sein sollten. In einem weiteren Schritt wurde die Übertragbarkeit auf den industriellen Maßstab untersucht, wobei die entsprechenden Prozessstrategien an einer neu entwickelten, kostengünstigen Trocknungsanlage erfolgreich implementiert werden konnten. Das Ziel einer verbesserten Produktqualität konnte mit Hilfe unterschiedlicher instationärer Trocknungsschemata sowohl am Einzelschichttrockner, als auch im größeren Maßstab erreicht werden. Das vorgestellte numerische Simulationsmodell zeigte auch bei der Vorhersage des instationären Trocknungsprozesses eine hohe Genauigkeit und war außerdem in der Lage, den Trocknungsverlauf im industriellen Maßstab zuverlässig voraus zu berechnen.

Atomistic-continuum modeling of ultrafast laser-induced melting of silicon targets

In this work, we present an atomistic-continuum model for simulations of ultrafast laser-induced melting processes in semiconductors on the example of silicon. The kinetics of transient non-equilibrium phase transition mechanisms is addressed with MD method on the atomic level, whereas the laser light absorption, strong generated electron-phonon nonequilibrium, fast heat conduction, and photo-excited free carrier diffusion are accounted for with a continuum TTM-like model (called nTTM). First, we independently consider the applications of nTTM and MD for the description of silicon, and then construct the combined MD-nTTM model. Its development and thorough testing is followed by a comprehensive computational study of fast nonequilibrium processes induced in silicon by an ultrashort laser irradiation. The new model allowed to investigate the effect of laser-induced pressure and temperature of the lattice on the melting kinetics. Two competing melting mechanisms, heterogeneous and homogeneous, were identified in our big-scale simulations. Apart from the classical heterogeneous melting mechanism, the nucleation of the liquid phase homogeneously inside the material significantly contributes to the melting process. The simulations showed, that due to the open diamond structure of the crystal, the laser-generated internal compressive stresses reduce the crystal stability against the homogeneous melting. Consequently, the latter can take a massive character within several picoseconds upon the laser heating. Due to the large negative volume of melting of silicon, the material contracts upon the phase transition, relaxes the compressive stresses, and the subsequent melting proceeds heterogeneously until the excess of thermal energy is consumed. A series of simulations for a range of absorbed fluences allowed us to find the threshold fluence value at which homogeneous liquid nucleation starts contributing to the classical heterogeneous propagation of the solid-liquid interface. A series of simulations for a range of the material thicknesses showed that the sample width we chosen in our simulations (800 nm) corresponds to a thick sample. Additionally, in order to support the main conclusions, the results were verified for a different interatomic potential. Possible improvements of the model to account for nonthermal effects are discussed and certain restrictions on the suitable interatomic potentials are found. As a first step towards the inclusion of these effects into MD-nTTM, we performed nanometer-scale MD simulations with a new interatomic potential, designed to reproduce ab initio calculations at the laser-induced electronic temperature of 18946 K. The simulations demonstrated that, similarly to thermal melting, nonthermal phase transition occurs through nucleation. A series of simulations showed that higher (lower) initial pressure reinforces (hinders) the creation and the growth of nonthermal liquid nuclei. For the example of Si, the laser melting kinetics of semiconductors was found to be noticeably different from that of metals with a face-centered cubic crystal structure. The results of this study, therefore, have important implications for interpretation of experimental data on the kinetics of melting process of semiconductors.