Polymer Derived Ceramics are a promising class of Materials that allow for higher levels of tunability and shaping that traditional sintering methods do not allow for. Polysiloxanes are commonly used as a precursor for these types of material because of their highly tunable microstructures by adjusting the side groups on the initial polymer. These Polymers are generally cross linked and pyrolyzed in inert atmospheres to form the final polymer. The microstructures of Polymer Derived Ceramics is complex and hard to observe due to the size of each microstructure region and the proximity in the periodic table that the elements present have. The process of forming phases such as Graphitic Carbon, Amorphous Carbon, Silicon Carbide. Silicon Oxide, and SiliconOxycarbide are not well understood. Simulation provides a route to understanding the phenomenon behind these phase formations. Specifically, Molecular dynamics simulation paired with the Reaxff forcefield provides a framework to simulate the complex processes involved in pyrolysis such as chemical reactions and a combination of thermodynamic and kinetic interactions. This Thesis examines firstly the size effect that a system can have on phase separation and the change in composition. Showing that size plays a major role in how the system develops and limits the occurrence of specific reactions. Secondly, this thesis shows that using polymer precursors with different initial polymer components leads to vastly different microstructures and yield. This provides insights into how the transition from polymer to ceramic takes place on a molecular level. / Master of Science / Ceramics and Polymers are seen all around the world. Polymers are used in many things from grocery bags to high performance panels on airplanes. Polymers are generally cheap to produce and can be molded into a variety of shapes. Ceramics are generally hard materials and are also used in a wide variety of situations from the concrete in buildings to coatings that protect turbine blades. Ceramics tend to be harder to form specific shapes and more costly to machine. Polymer derived polysiloxanes address this problem by being formed in the polymer state and then transformed into a ceramic by being heated in inert atmospheres. The process of the heating is very complex and the effect that different polymers have on the atomic level is not well understood. This thesis works to address this by using simulation to see what cannot be seen through experimentation alone.

The challenge of sensing relative motion between vehicles is an important subject in the engineering field in recent years. The associated applications range from spacecraft rendezvous and docking to autonomous ground vehicle operations. The focus of this thesis is to develop the simulation tools to examine this problem in the laboratory environment. More specifically, the goal is to create a virtual unmanned ground vehicle that operates in the same manner as an actual vehicle. This simulated vehicle allows for safely testing other software or hardware components before application to the actual vehicle. In addition, the simulated vehicle, in contrast to the real vehicle, is able to operate on different surfaces or even different planets, with different gravitational accelerations. To accomplish this goal, the equations of motion of a two-wheel driven unmanned vehicle are developed analytically. To study the spacecraft application, the equations of motion for a spacecraft cluster are also developed. These two simulations are implemented in a modular form using the UMBRA framework. In addition, an interface between these two simulations is created for the unmanned vehicle to mimic the translational motion of a spacecraft's relative orbit. Finally, some of the limitations and future improvements of the existing simulations are presented. / Master of Science

Physics engines become more and more common due to the rapid development and increasing demand of simulations. With this comes a need of testing the engine, a way to measure its performance, not only its speed but also its accuracy and stability. The purpose of this thesis has been to create a set of benchmark tests. They aim to check the physical aspects, especially mechanics, of the engine. A strategy and export functions for the test results in order to automate the testing have also been developed. The resulting tests became a beam on piles which analyses constraint stability, an overdetermined system consisting of a static door on multiple hinges, a falling object investigating the accuracy of the integrator, a box on an inclined plane for testing the friction model, a single pendulum as well as a multibody pendulum checking constraint accuracy and energy conservation, the Earth orbiting around the Sun which tests the stability of the integrator and finally a cantilever beam that is a static test of a real scenario. After the tests are performed the results are presented on an HTML-page. A prototype of a Web application is also established as well as a set of scalar tests that can be performed continuously, in order to follow trends or compare the engine's performance from time to time. This thesis was initialized by Algoryx Simulation AB which also provided the engine, AgX Dynamics, with the numerical method called SPOOK. It mainly performed well on all tests. In order to build a fully general toolbox more tests need to be added such as material interactions, scalable test with thousands of bodies, torque tests as well as more complex scenarios, for example a scissor lift and robots. The work can also be extended with more developed export functions, both to the Web and to documents. Hopefully this thesis can be seen as a complement to the earlier efforts done in creating a general set of benchmarks and automation framework for continuous integration and testing. / Fysikmotorer blir mer och mer vanliga på grund av den snabba utvecklingen och efterfrågan på simuleringar. I och med detta ökar också behovet av att testa motorerna och ett sätt att mäta prestandan, inte bara snabbheten utan också noggrannheten och stabiliteten. Syftet med detta examensarbete har varit att skapa ett set av prestandatester. De syftar till att testa de fysikaliska aspekterna av fysikmotorn, särskilt inom mekanik. En strategi och exportfunktioner för testresultaten för att automatisera testningen har också utvecklats. De resulterande testerna blev en balk på pålar som analyserar stabiliteten hos villkoren, ett överbestämt system bestående av en statisk dörr på flera gångjärn, ett fallande objekt som granskar precisionen hos integratorn, en låda på ett lutande plan som testar friktionsmodellen, en enkel pendel samt en flerkropppspendel som kontrollerar villkorsprecisionen och energikonservering, jordens bana runt solen som testar integratorns stabilitet och slutligen en utskjutande balk som är ett statiskt test av ett verkligt fall. När testerna är genomförda presenteras resultaten på en HTML-sida. En prototyp av en webb-applikation har också utvecklats samt ett set med skalära tester som kan utföras kontinuerligt för att följa upp trender och jämföra motorns prestanda över tid. Det här examensarbetet initierades av Algoryx Simulation AB som även tillhandahållit fysikmotorn, AgX Dynamics, med den numeriska metoden SPOOK. Motorn presterade överlag bra på testerna. För att bygga en allmän verktygslåda behövs fler tester så som interaktion mellan material, skalbara tester med tusentals kroppar samt mer komplexa simuleringar, t.ex. en saxlyft och robotar. Arbetet kan också utökas med mer utvecklade exportfunktioner, både mot webben och som dokument. Förhoppningsvis kan detta ses som ett komplement till de tidigare ansträgningar som gjorts för att skapa ett generellt set av prestandatester och ett automatiskt ramverk för kontinuerlig testning.

Este trabalho apresenta o estudo da dinâmica de uma instalação propulsora a vapor através da técnica da modelagem e simulação. O modelo matemático é obtido das Leis da Termodinâmica e dos conceitos básicos da mecânica dos fluídos e transferência de calor, e a simulação é efetuada em um computador digital. Inicialmente cada componente do ciclo é modelado individualmente, determinando-se as suas variáveis de estado, de entrada e de saída. A seguir o modelo é simulado para analisar a influência dos diversos parâmetros nas respostas do elemento. O modelo matemático da instalação propulsora a vapor é obtido agrupando-se convenientemente os modelos dos vários componentes do ciclo. Com isso obtêm-se um sistema de 47ª ordem que pode simular diversos casos de interesse real. Neste trabalho são analisadas as respostas do ciclo para dois casos. A primeira corresponde ao fechamento parcial da válvula de controle da turbina e a segunda ao corte na vazão de óleo combustível. / This paper presents a study of the dynamics of a steam power plant using techniques of modelling and simulation. The mathematical model derives form the laws of Thermodynamics and basic concepts of fluid mechanics and heat transfer; the simulation is carried out in a digital computer. Each component is first modelled individually, and its state, input and output variables are determined. The model is then simulated for the analysis of the influence of the various parameters in the responses of the component. The mathematical model of the complete power plant is constructed by the convenient grouping of the various component models of the cycle. Thereby a 47th order system is obtained, which can simulate various cases of interest. The cycle\'s response for two cases are analysed. The first case correspond to the partial closing of the turbine control valve and the second to the fuel flow interruption .

Modeling of single-walled carbon nanotubes, multi-walled nanotubes and nanotube reinforced polymer composites using both the Finite Element method and the Molecular Dynamic simulation technique is presented. Nanotubes subjected to mechanical loading have been analyzed. Elastic moduli and thermal coefficient of expansion are calculated and their variation with diameter and length is investigated. In particular, the nanotubes are modeled using 3D elastic beam finite elements with six degrees of freedom at each node. The difficulty in modeling multi walled nanotubes is the van der Waal's forces between adjacent layers which are geometrically non linear in nature. These forces are modeled using truss elements. The nanotube-polymer interface in a nano-composite is modeled on a similar basis. While performing the molecular dynamic simulations, the geometric optimization is performed initially to obtain the minimized configuration and then the desired temperature is attained by rescaling the velocities of carbon atoms in the nanotube. Results show that the Young's modulus increases with tube diameter in molecular mechanics whereas decreases in molecular dynamics since the inter-atomic potential due to chemical reactions between the atoms is taken into consideration in molecular dynamics unlike in molecular mechanics.

A dynamic MEA absorption process model has been developed to study the operability of this process in a dynamic fashion and to develop a control strategy to maintain the operation of the MEA scrubbing CO2 capture process in the presence of the external perturbations that may arise from the transient operation of the power plant. The novelty in this work is that a mechanistic model based on the conservation laws of mass and energy have been developed for the complete MEA absorption process. The model developed in this work was implemented in gPROMS. The process response of the key output variables to changes in the key input process variables, i.e., the flue gas flow rate and the reboiler heat duty, are presented and discussed in this study. In order to represent the actual operation of a power plant, the dynamic response of the MEA absorption process to a sinusoidal change in the flue gas flow rate was also considered in the present analysis. The mechanistic dynamic model was applied to develop a basic feedback control strategy. The implementation of a control strategy was tested by changing the operating conditions for the flue gas flow rate. The controlled variables, i.e., the percentage of CO2 absorbed in the absorber column and the reboiler temperature, were maintained around their nominal set point values by manipulating the valve stem positions, which determine the lean solvent feed flow rate at the top of the absorber column, and the reboiler heat duty, respectively. For the sinusoidal test, the amplitude of the oscillations observed for the controlled variables was smaller than those observed for the open-loop tests. This is because the variability of the controlled variables was transferred to the manipulated variable in the closed loop. The mechanistic dynamic model developed in this process can be potentially used as a practical tool that can provide insight regarding the dynamic operation of MEA absorption process. The model developed in this work can also be used as a basis to develop other studies related to the operability, controllability and dynamic flexibility of this process.

Modeling of single-walled carbon nanotubes, multi-walled nanotubes and nanotube reinforced polymer composites using both the Finite Element method and the Molecular Dynamic simulation technique is presented. Nanotubes subjected to mechanical loading have been analyzed. Elastic moduli and thermal coefficient of expansion are calculated and their variation with diameter and length is investigated. In particular, the nanotubes are modeled using 3D elastic beam finite elements with six degrees of freedom at each node. The difficulty in modeling multi walled nanotubes is the van der Waal's forces between adjacent layers which are geometrically non linear in nature. These forces are modeled using truss elements. The nanotube-polymer interface in a nano-composite is modeled on a similar basis. While performing the molecular dynamic simulations, the geometric optimization is performed initially to obtain the minimized configuration and then the desired temperature is attained by rescaling the velocities of carbon atoms in the nanotube. Results show that the Young's modulus increases with tube diameter in molecular mechanics whereas decreases in molecular dynamics since the inter-atomic potential due to chemical reactions between the atoms is taken into consideration in molecular dynamics unlike in molecular mechanics.

In dieser Arbeit werden unter der Nutzung von Simulationswerkzeugen und neu erstellten instationären Modellen von Kraftwerkskomponenten auf dem Sektor der Energieerzeugung mit fossilen Brennstoffen am Beispiel von Kohle, Betriebs- und Verhaltensweisen der Anlage untersucht und Optimierungsmöglichkeiten für die vorgegebenen Randbedingungen getestet.

The high strength, light weight, and flexibility of fabric protection systems makes them the preferred solution for a number of ballistic applications. Examples include body armor, fan blade containment for jet engines, and orbital debris shielding. In general, these protection systems employ plain woven fabric, most suitable for flat or gently curved geometries. Highly curved surfaces, such as personnel extremities, may be more effectively protected using fabrics of different weaves. This dissertation presents the first numerical model developed to simulate ballistic impacts into plain, harness satin, twill, and basket weave fabrics. It extends previous work on hybrid particle-finite element methods developed for fabric modeling. The extended formulation closely replicates the tensile load response and contact-impact dynamics of highly flexible yarns, by generalizing the kinematic model and density interpolation used in previous work. The formulation has been validated in three dimensional simulations of impact experiments conducted to investigate the effects of weave type on fabric ballistic performance. / text

This research documents the societal worth of riparian resources in the Southwestern United States. Two case studies are developed for this inquiry, the first being Aravaipa Canyon Wilderness in Southern Arizona, an area containing one of the last perennial streams in the Sonoran Desert bioregion. A hiking use value per visitor-day is estimated via the Travel Cost Method at $25.06 and $17.31 (2003 dollars) respectively for two access sites. I hypothesize the value discrepancy to indicate a premium for remote recreation. These valuation results compare well with other published recreational use value estimates, though it is the only valuation study associated with instream recreation in the Sonoran Desert of which I am aware. Indeed the environmental valuation literature is thin for the desert region in any respect.The second case study values public restoration preferences for the Albuquerque reach of the Rio Grande in Central New Mexico. A Choice Experiment and Contingent Valuation are employed within an original survey instrument to estimate human values for various restoration strategies planned for the region. Through focus groups and stakeholder interactions four restoration attributes were defined: vegetation density; tree type; fish and wildlife population; and natural river processes. Quantified values for Albuquerque area households were estimated for each restoration attribute level of change, allowing construction of total benefits anticipated for various restoration scenarios considered for the region. This research is at the vanguard of quantifying human benefit for saltcedar control, and this particular restoration characteristic was the most highly valued of all, at $59.03 per household per year. Full restoration was valued at $156.60 per household per year. These results have meaning beyond the study area since river restoration efforts are increasing across the Western US, with many focusing on controlling saltcedar, an exotic invasive plant.The final phase of this research integrates riparian valuation concepts within a dynamic simulation framework to guide systems-level riparian management. Control variables are combined with known valuation pathways to predict riparian investment funding optimal in benefit-cost ratio. The model is built for the Middle Rio Grande in Albuquerque, however it was designed for easy adaptation to other Southwestern riparian areas. A detailed forest module is included, through which seven defined forest stocks may be managed through thinning, clearing, and revegetation. River management may occur through environmental river flow releases, reconstructing stream-overbank connections, and wetland construction. Recreational amenities may be improved through the four infrastructure categories of trails, toilet facilities, picnic areas, and parking areas. Benefits and costs are estimated through original research and region benefit transfer, and tracked for different investment scenarios to predict the highest-return strategies over a 100 year planning horizon. A sensitivity analysis is used to suggest areas of future research.