Reversibility Iteration Method to Understand Reaction Networks and to Solve Micro-Kinetics in Heterogeneous Catalysis

Solving microkinetics of catalytic systems, which bridges microscopic processes and macroscopic reaction rates, is currently vital for understanding catalysis in silico. However, traditional microkinetic solvers possess several drawbacks that make the process slow and unreliable for complicated catalytic systems. In this paper, a new approach, the so-called reversibility iteration method (RIM), is developed to solve microkinetics for catalytic systems. Using the chemical potential notation we previously proposed to simplify the kinetic framework, the catalytic systems can be analytically illustrated to be logically equivalent to the electric circuit, and the reaction rate and coverage can be calculated by updating the values of reversibilities. Compared to the traditional modified Newton iteration method (NIM), our method is not sensitive to the initial guess of the solution and typically requires fewer iteration steps. Moreover, the method does not require arbitrary-precision arithmetic and has a higher probability of successfully solving the system. These features make it ∼1000 times faster than the modified Newton iteration method for the systems we tested. Moreover, the derived concept and the mathematical framework presented in this work may provide new insight into catalytic reaction networks.

The role of nuclear physics in supernovae and the evolution of neutron stars, Neutrino Opacities, Equation of State, Transport Coefficients, and Dark Matter Production

Thesis (Ph.D.)--University of Washington, 2016-08

Development and characterization of Poly(L-lactic acid) (PLLA) platforms for bone tissue engineering

The development of scaffolds based on biomaterials is a promising strategy for Tissue Engineering and cellular regeneration. This work focuses on Bone Tissue Engineering, the aim is to develop electrically tailored biomaterials with different crystalline and electric features, and study their impacts onto cell biological behavior, so as to predict the materials output in the enhancement of bone tissue regeneration. It is accepted that bone exhibits piezoelectricity, a property that has been proved to be involved in bone growth/repair mechanism regulation. In addition electrical stimulations have been proved to influence bone growth and repair. Piezoelectric materials are therefore widely investigated for a potential use in bone tissue engineering. The main goal is the development of novel strategies to produce and employ piezoelectric biomaterials, with detailed knowledge of mechanisms involved in cell-material interaction. In the current work, poly (L-lactic) acid (PLLA), a synthetic semi-crystalline polymer, exhibiting biodegradibility, biocompatibility and piezoelectricity is studied and proposed as a promoter of enhanced tissue regeneration. PLLA has already been approved for implantation in human body by the Food and Drug Administration (FDA), and at the moment it is being used in several clinical strategies. The present study consists of first preparing films with different degrees of crystallinity and characterizing these PLLA films, in terms of surface and structural properties, and subsequently assessing the behavior of cells in terms of viability, proliferation, morphology and mineralization for each PLLA configuration. PLLA films were prepared using the solvent cast technique and submitted to different thermal treatments in order to obtain different degrees of crystallinity. Those platforms were then electrically poled, positively and negatively, by corona discharge in order to tailor their electrical properties. The cellular assays were conducted by using two different osteoblast cell lines grown directly onto the PLLA films:Human osteoblast Hob, a primary cell culture and Human osteosarcoma MG-63 cell line. This thesis gives also a comprehensive introduction to the area of Bone Tissue Engineering and provides a review of the work done in this field in the past until today, in that same field, including the one related with bone’s piezoelectricity. Then the experimental part deals with the effects of the crystallinity degrees and of the polarization in terms of surface properties and cellular bio assays. Three different degrees of crystallinity, and three different polarization conditions were prepared; which results in 9 different configurations under investigation.

Map showing the Metropolitan Street Railway system and lines operated in connection therewith : 232.07 miles : [borough of Manhattan, New York City].

Covers Manhattan Island south of 166th Street.

Packaging and Deployment of Large Planar Spacecraft Structures

This thesis presents a set of novel methods to biaxially package planar structures by folding and wrapping. The structure is divided into strips connected by folds that can slip during wrapping to accommodate material thickness. These packaging schemes are highly efficient, with theoretical packaging efficiencies approaching 100%. Packaging tests on meter-scale physical models have demonstrated packaging efficiencies of up to 83%. These methods avoid permanent deformation of the structure, allowing an initially flat structure to be deployed to a flat state.

Also presented are structural architectures and deployment schemes that are compatible with these packaging methods. These structural architectures use either in-plane pretension -- suitable for membrane structures -- or out-of-plane bending stiffness to resist loading. Physical models are constructed to realize these structural architectures. The deployment of these types of structures is shown to be controllable and repeatable by conducting experiments on lab-scale models.

These packaging methods, structural architectures, and deployment schemes are applicable to a variety of spacecraft structures such as solar power arrays, solar sails, antenna arrays, and drag sails; they have the potential to enable larger variants of these structures while reducing the packaging volume required. In this thesis, these methods are applied to the preliminary structural design of a space solar power satellite. This deployable spacecraft, measuring 60 m x 60 m, can be packaged into a cylinder measuring 1.5 m in height and 1 m in diameter. It can be deployed to a flat configuration, where it acts as a stiff lightweight support framework for multifunctional tiles that collect sunlight, generate electric power, and transmit it to a ground station on Earth.

Protozoan parasites of Xiphophorus spp. (Poeciliidae) and their relation with water characteristics

Investigou-se a relação entre as características da água e a infestação de protozoários parasitos, Icthyophthirius multifiliis e Trichodina sp., em peixe espada, Xiphophorus helleri e em plati, Xiphophorus maculatus, coletados em uma piscicultura de peixes ornamentais no Estado de São Paulo, Brasil. Os peixes foram coletados mensalmente, durante um ano, dos viveiros e das caixas de estocagem. A prevalência da infestação nos peixes das caixas e dos viveiros foram, respectivamente, 34,2% e 22,5% para I. multifiliis e 13% e 54% para Trichodina sp. A elevada condutividade elétrica e o pH da água reduziram a infestação por I. multifiliis. A baixa concentração de oxigênio resultou em aumento na infestação por Trichodina sp. O uso do sal, para aumentar a condutividade elétrica da água, consistiu em um método de controle de I. multifiliis. A redução do oxigênio dissolvido e a adição de fertilizante orgânico favoreceram a reprodução de Trichodina sp.

Design Optimization of Modern Machine-drive Systems for Maximum Fault Tolerant and Optimal Operation

Modern electric machine drives, particularly three phase permanent magnet machine drive systems represent an indispensable part of high power density products. Such products include; hybrid electric vehicles, large propulsion systems, and automation products. Reliability and cost of these products are directly related to the reliability and cost of these systems. The compatibility of the electric machine and its drive system for optimal cost and operation has been a large challenge in industrial applications. The main objective of this dissertation is to find a design and control scheme for the best compromise between the reliability and optimality of the electric machine-drive system. The effort presented here is motivated by the need to find new techniques to connect the design and control of electric machines and drive systems. A highly accurate and computationally efficient modeling process was developed to monitor the magnetic, thermal, and electrical aspects of the electric machine in its operational environments. The modeling process was also utilized in the design process in form finite element based optimization process. It was also used in hardware in the loop finite element based optimization process. The modeling process was later employed in the design of a very accurate and highly efficient physics-based customized observers that are required for the fault diagnosis as well the sensorless rotor position estimation. Two test setups with different ratings and topologies were numerically and experimentally tested to verify the effectiveness of the proposed techniques. The modeling process was also employed in the real-time demagnetization control of the machine. Various real-time scenarios were successfully verified. It was shown that this process gives the potential to optimally redefine the assumptions in sizing the permanent magnets of the machine and DC bus voltage of the drive for the worst operating conditions. The mathematical development and stability criteria of the physics-based modeling of the machine, design optimization, and the physics-based fault diagnosis and the physics-based sensorless technique are described in detail. To investigate the performance of the developed design test-bed, software and hardware setups were constructed first. Several topologies of the permanent magnet machine were optimized inside the optimization test-bed. To investigate the performance of the developed sensorless control, a test-bed including a 0.25 (kW) surface mounted permanent magnet synchronous machine example was created. The verification of the proposed technique in a range from medium to very low speed, effectively show the intelligent design capability of the proposed system. Additionally, to investigate the performance of the developed fault diagnosis system, a test-bed including a 0.8 (kW) surface mounted permanent magnet synchronous machine example with trapezoidal back electromotive force was created. The results verify the use of the proposed technique under dynamic eccentricity, DC bus voltage variations, and harmonic loading condition make the system an ideal case for propulsion systems.

Hybrid Power System Intelligent Operation and Protection Involving Distributed Architectures and Pulsed Loads

Efficient and reliable techniques for power delivery and utilization are needed to account for the increased penetration of renewable energy sources in electric power systems. Such methods are also required for current and future demands of plug-in electric vehicles and high-power electronic loads. Distributed control and optimal power network architectures will lead to viable solutions to the energy management issue with high level of reliability and security. This dissertation is aimed at developing and verifying new techniques for distributed control by deploying DC microgrids, involving distributed renewable generation and energy storage, through the operating AC power system. To achieve the findings of this dissertation, an energy system architecture was developed involving AC and DC networks, both with distributed generations and demands. The various components of the DC microgrid were designed and built including DC-DC converters, voltage source inverters (VSI) and AC-DC rectifiers featuring novel designs developed by the candidate. New control techniques were developed and implemented to maximize the operating range of the power conditioning units used for integrating renewable energy into the DC bus. The control and operation of the DC microgrids in the hybrid AC/DC system involve intelligent energy management. Real-time energy management algorithms were developed and experimentally verified. These algorithms are based on intelligent decision-making elements along with an optimization process. This was aimed at enhancing the overall performance of the power system and mitigating the effect of heavy non-linear loads with variable intensity and duration. The developed algorithms were also used for managing the charging/discharging process of plug-in electric vehicle emulators. The protection of the proposed hybrid AC/DC power system was studied. Fault analysis and protection scheme and coordination, in addition to ideas on how to retrofit currently available protection concepts and devices for AC systems in a DC network, were presented. A study was also conducted on the effect of changing the distribution architecture and distributing the storage assets on the various zones of the network on the system’s dynamic security and stability. A practical shipboard power system was studied as an example of a hybrid AC/DC power system involving pulsed loads. Generally, the proposed hybrid AC/DC power system, besides most of the ideas, controls and algorithms presented in this dissertation, were experimentally verified at the Smart Grid Testbed, Energy Systems Research Laboratory. All the developments in this dissertation were experimentally verified at the Smart Grid Testbed.

A NOVEL MODELING AND STATE OF CHARGE ESTIMATION SCHEME FOR LITHIUM-ION BATTERIES

Lithium Ion (Li-Ion) batteries have got attention in recent decades because of their undisputable advantages over other types of batteries. They are used in so many our devices which we need in our daily life such as cell phones, lap top computers, cameras, and so many electronic devices. They also are being used in smart grids technology, stand-alone wind and solar systems, Hybrid Electric Vehicles (HEV), and Plug in Hybrid Electric Vehicles (PHEV). Despite the rapid increase in the use of Lit-ion batteries, the existence of limited battery models also inadequate and very complex models developed by chemists is the lack of useful models a significant matter. A battery management system (BMS) aims to optimize the use of the battery, making the whole system more reliable, durable and cost effective. Perhaps the most important function of the BMS is to provide an estimate of the State of Charge (SOC). SOC is the ratio of available ampere-hour (Ah) in the battery to the total Ah of a fully charged battery. The Open Circuit Voltage (OCV) of a fully relaxed battery has an approximate one-to-one relationship with the SOC. Therefore, if this voltage is known, the SOC can be found. However, the relaxed OCV can only be measured when the battery is relaxed and the internal battery chemistry has reached equilibrium. This thesis focuses on Li-ion battery cell modelling and SOC estimation. In particular, the thesis, introduces a simple but comprehensive model for the battery and a novel on-line, accurate and fast SOC estimation algorithm for the primary purpose of use in electric and hybrid-electric vehicles, and microgrid systems. The thesis aims to (i) form a baseline characterization for dynamic modeling; (ii) provide a tool for use in state-of-charge estimation. The proposed modelling and SOC estimation schemes are validated through comprehensive simulation and experimental results.

Microwave-assisted synthesis and local analyses of positive insertion electrodes for Li-ion batteries

Efficient energy storage holds the key to reducing waste energy and enabling the use of advanced handheld electronic devices, hydrid electric vehicles and residential energy storage. Recently, Li-ion batteries have been identified and employed as energy storage devices due to their high gravimetric and volumetric energy densities, in comparison to previous technologies. However, more research is required to enhance the efficiency of Li-ion batteries by discovering electrodes with larger electrochemical discharge capacities, while maintaining electrochemical stability. The aims of this study are to develop new microwave-assisted synthesis routes to nanostructured insertion cathodes, which harbor a greater affinity for lithium extraction and insertion than bulk materials. Subsequent to this, state-of-the-art synchrotron based techniques have been employed to understand structural and dynamic behaviour of nanostructured cathode materials during battery cell operation. In this study, microwave-assisted routes to a-LiFePO4, VO2(B), V3O7, H2V3O8 and V4O6(OH)4 have all been developed. Muon spin relaxation has shown that the presence of b-LiFePO4 has a detrimental effect on the lithium diffusion properties of a-LiFePO4, in agreement with first principles calculations. For the first time, a-LiFePO4 nanostructures have been obtained by employing a deep eutectic solvent reaction media showing near theoretical capacity (162 mAh g–1). Studies on VO2(B) have shown that the discharge capacity obtained is linked to the synthesis method. Electrochemical studies of H2V3O8 nanowires have shown outstanding discharge capacities (323 mAh g–1 at 100 mA g–1) and rate capability (180 mAh g–1 at 1 A g–1). The electrochemcial properties of V4O6(OH)4 have been investigated for the first time and show a promising discharge capacity of (180 mAh g–1). Lastly, in situ X-ray absorption spectroscopy has been utilised to track the evolution of the oxidation states in a-LiFePO4, VO2(B) and H2V3O8, and has shown these can all be observed dynamically.

The Branches of Large Electricity Companies in Portugal: From Trade to the Transfer and Adaptation of Technology (20th Century)

In the last decade of the 19th and first decades of the 20th century there was a movement of capital and engineers from the central and northern Europe to the countries of southern Europe and other continents. Large companies sought to obtain concessions and establish branches in Portugal, favouring the circulation of technical knowledge and transfer of technology for Portuguese industry. Among the various examples of the representatives of foreign companies in Portugal we find Jayme da Costa Ltd. established in 1916 in Lisbon, which was a branch of the Swedish company ASEA, as well as STAAL, ATLAS DIESEL (Sweden), Landis & GYR (Switzerland), Electro Helios, etc.. Another example is EFACEC a company founded in 1948 in Porto, that was a partnership between the Portuguese company CUF – Companhia União Fabril, and ACEC – Ateliers de Constructions Électriques de Charleroi and a small entreprise Electro-Moderna Ldª. This enterprise started the industrial production of electric motors and transformers, and later on acquired a substantial share of the national production of electrical equipment. Using Estatística das Instalações Elétricas em Portugal (Statistics on Electrical Installations in Portugal) from 1928 until 1950 we can identify the foreign enterprises acting in the Portuguese market: Siemens, B.B.C, ASEA, Oerlikon, etc. We can also establish a relationship between the development of the electric network and the growth of production and consumption of electricity in the principal urban centres. Finally we see how foreign firms were a stimulus to the creation of national enterprises, especially those of small scale, in Portugal.

Amphibian

Amphibian is an 10’00’’ musical work which explores new musical interfaces and approaches to hybridising performance practices from the popular music, electronic dance music and computer music traditions. The work is designed to be presented in a range of contexts associated with the electro-acoustic, popular and classical music traditions. The work is for two performers using two synchronised laptops, an electric guitar and a custom designed gestural interface for vocal performers - the e-Mic (Extended Mic-stand Interface Controller). This interface was developed by one of the co-authors, Donna Hewitt. The e-Mic allows a vocal performer to manipulate the voice in real time through the capture of physical gestures via an array of sensors - pressure, distance, tilt - along with ribbon controllers and an X-Y joystick microphone mount. Performance data are then sent to a computer, running audio-processing software, which is used to transform the audio signal from the microphone. In this work, data is also exchanged between performers via a local wireless network, allowing performers to work with shared data streams. The duo employs the gestural conventions of guitarist and singer (i.e. 'a band' in a popular music context), but transform these sounds and gestures into new digital music. The gestural language of popular music is deliberately subverted and taken into a new context. The piece thus explores the nexus between the sonic and performative practices of electro acoustic music and intelligent electronic dance music (‘idm’). This work was situated in the research fields of new musical interfacing, interaction design, experimental music composition and performance. The contexts in which the research was conducted were live musical performance and studio music production. The work investigated new methods for musical interfacing, performance data mapping, hybrid performance and compositional practices in electronic music. The research methodology was practice-led. New insights were gained from the iterative experimental workshopping of gestural inputs, musical data mapping, inter-performer data exchange, software patch design, data and audio processing chains. In respect of interfacing, there were innovations in the design and implementation of a novel sensor-based gestural interface for singers, the e-Mic, one of the only existing gestural controllers for singers. This work explored the compositional potential of sharing real time performance data between performers and deployed novel methods for inter-performer data exchange and mapping. As regards stylistic and performance innovation, the work explored and demonstrated an approach to the hybridisation of the gestural and sonic language of popular music with recent ‘post-digital’ approaches to laptop based experimental music The development of the work was supported by an Australia Council Grant. Research findings have been disseminated via a range of international conference publications, recordings, radio interviews (ABC Classic FM), broadcasts, and performances at international events and festivals. The work was curated into the major Australian international festival, Liquid Architecture, and was selected by an international music jury (through blind peer review) for presentation at the International Computer Music Conference in Belfast, N. Ireland.

Numerical models to simulate the thermal performance of LSF wall panels

Fire safety of buildings has been recognised as very important by the building industry and the community at large. Gypsum plasterboards are widely used to protect light gauge steel frame (LSF) walls all over the world. Gypsum contains free and chemically bound water in its crystal structure. Plasterboard also contains gypsum (CaSO4.2H2O) and calcium carbonate (CaCO3). The dehydration of gypsum and the decomposition of calcium carbonate absorb heat, and thus are able to protect LSF walls from fires. Kolarkar and Mahendran (2008) developed an innovative composite wall panel system, where the insulation was sandwiched between two plasterboards to improve the thermal and structural performance of LSF wall panels under fire conditions. In order to understand the performance of gypsum plasterboards and LSF wall panels under standard fire conditions, many experiments were conducted in the Fire Research Laboratory of Queensland University of Technology (Kolarkar, 2010). Fire tests were conducted on single, double and triple layers of Type X gypsum plasterboards and load bearing LSF wall panels under standard fire conditions. However, suitable numerical models have not been developed to investigate the thermal performance of LSF walls using the innovative composite panels under standard fire conditions. Continued reliance on expensive and time consuming fire tests is not acceptable. Therefore this research developed suitable numerical models to investigate the thermal performance of both plasterboard assemblies and load bearing LSF wall panels. SAFIR, a finite element program, was used to investigate the thermal performance of gypsum plasterboard assemblies and LSF wall panels under standard fire conditions. Appropriate values of important thermal properties were proposed for plasterboards and insulations based on laboratory tests, literature review and comparisons of finite element analysis results of small scale plasterboard assemblies from this research and corresponding experimental results from Kolarkar (2010). The important thermal properties (thermal conductivity, specific heat capacity and density) of gypsum plasterboard and insulation materials were proposed as functions of temperature and used in the numerical models of load bearing LSF wall panels. Using these thermal properties, the developed finite element models were able to accurately predict the time temperature profiles of plasterboard assemblies while they predicted them reasonably well for load bearing LSF wall systems despite the many complexities that are present in these LSF wall systems under fires. This thesis presents the details of the finite element models of plasterboard assemblies and load bearing LSF wall panels including those with the composite panels developed by Kolarkar and Mahendran (2008). It examines and compares the thermal performance of composite panels developed based on different insulating materials of varying densities and thicknesses based on 11 small scale tests, and makes suitable recommendations for improved fire performance of stud wall panels protected by these composite panels. It also presents the thermal performance data of LSF wall systems and demonstrates the superior performance of LSF wall systems using the composite panels. Using the developed finite element of models of LSF walls, this thesis has proposed new LSF wall systems with increased fire rating. The developed finite element models are particularly useful in comparing the thermal performance of different wall panel systems without time consuming and expensive fire tests.

Analysis of Rail Ends under Wheel Contact Loading

The effect of the discontinuity of the rail ends and the presence of lower modulus insulation material at the gap to the variations of stresses in the insulated rail joint (IRJ) is presented. A three-dimensional wheel – rail contact model in the finite element framework is used for the analysis. It is shown that the maximum stress occurs in the subsurface of the railhead when the wheel contact occurs far away from the rail end and migrates to the railhead surface as the wheel approaches the rail end; under this condition, the interface between the rail ends and the insulation material has suffered significantly increased levels of stress concentration. The ratio of the elastic modulus of the railhead and insulation material is found to alter the levels of stress concentration. Numerical result indicates that a higher elastic modulus insulating material can reduce the stress concentration in the railhead but will generate higher stresses in the insulation material, leading to earlier failure of the insulation material