Scanning Probe Microscopy Studies of Petroleum Chemistry: Substrate-Dependent Catalytic Properties of MoS2 and Automating Scanning Probe Microscopy with Machine Learning

With the growth of the population, society’s energy demands are mostly reliant on petroleum products that come from the refining of crude oil. Most of these refining reactions have been developed through averaging spectroscopic techniques, but scientists do not know exactly what is happening in these processes at the nano and atomic levels. This information is crucial when designing an efficient refining process that produces petroleum products that emit fewer harmful gases when combusting. Scanning probe microscopy techniques have become a powerful tool to look into the chemical structures found in petroleum products, to understand catalytic reactions in refining processes, and to find new non-combustible uses for these products. In this dissertation, I show how scanning probe microscopy (SPM) techniques, especially non-contact atomic force microscopy (NC-AFM) can provide an atomic-level understanding of the chemical structures and active catalytic sites that play a role in these refining processes. First, I studied hydrodesulfurization reactions that use molybdenum disulfide as a main catalyst to explore the effect of layer thickness, strain, and underlying substrates on its electronic and catalytic properties. Here, I present the first NC-AFM experiments investigating the active catalytic sites of molybdenum disulfide on industrially relevant substrates. Through these experiments, I found how NC-AFM techniques on insulators need to be improved to achieve high-resolution images that are comparable to those collected on metal substrates. Second, I created Auto-HR-AFM, a machine-learning script that collects optimal high-resolution NC-AFM images. Auto-HR-AFM is a modular and open-source script that provides an initial framework for a fully automated SPM. Expanding on this framework will widen the use of scanning probe microscopy techniques to non-experts and the automation will increase the time the system is kept running to collect large optimal datasets. Ultimately, these studies will broaden the use of high-resolution SPM techniques and help create more efficient catalysts and refining processes to produce cleaner and more efficient petroleum products

Modelos y plataforma IEC 61499 adaptados al control distribuido de máquinas herramienta en sistemas de fabricación ágil

Los sistemas de fabricación han ido evolucionando para adaptarse a las cada vez más cambiantes demandas del mercado, pasando de los sistemas de fabricación en masa a los sistemas flexibles y, finalmente, a los sistemas ágiles. Estos últimos están soportados por sistemas reconfigurables, capaces de ser modificados sin parar su funcionamiento, así como por tecnologías de la información y la comunicación, por lo que pueden adaptarse muy rápidamente a cambios en la producción. Para denominar estos nuevos sistemas han surgido también términos como e-manufacturing, cloud-manufacturing, industrie 4.0. El estándar actual de referencia para el desarrollo de software de control en los sistemas de fabricación es IEC 61131, del que algunos trabajos han indicado su poca adecuación frente a los requisitos de los nuevos sistemas. Por este motivo ha surgido el más complejo IEC 61499, que define arquitecturas y modelos para un software de control distribuido y reconfigurable. La industria demanda a este estándar la capacidad para desarrollar software de control: predecible, escalable, mantenible y extensible. A este respecto, aunque ha sido objeto de múltiples trabajos por parte de la comunidad académica, a día de hoy IEC 61499 no ha adquirido esa capacidad, por lo que no es aceptado todavía por la industria. El objeto de la presente tesis es aportar propuestas que contribuyan a que el estándar alcance dicha capacidad. Con este fin, se propone el uso de metodologías y modelos de componentes software adaptados al dominio de aplicación, en particular, al control de máquinas herramienta en sistemas de fabricación ágil. Este dominio ha sido elegido por su complejidad, frente a los sencillos tipos de aplicación y casos de uso considerados en anteriores propuestas relacionadas con IEC 61499. Para establecer dichas metodologías y modelos adaptados se estudia en primer lugar el dominio indicado, determinando los principios de diseño de su software de control. Estos principios sirven de base para efectuar una revisión del estado actual del estándar. Seguidamente, se propone y modela el control distribuido de una máquina herramienta genérica, a partir del cual se establecen los modelos de bloque función y de ejecución IEC 61499 adaptados a ese dominio. Dichos modelos facilitan el establecimiento de una metodología de diseño, a la vez que permiten una implementación del estándar determinista, eficiente, escalable y que cumple restricciones de tiempo real. A la hora de verificar experimentalmente la metodología y los modelos adaptados es necesaria una plataforma de ejecución. Debido a que las plataformas IEC 61499 existentes no soportan dichos modelos se ha especificado, diseñado e implementado la plataforma COSME. A diferencia de anteriores plataformas, ésta incorpora características que hacen posible su empleo en entornos industriales. En este sentido, la plataforma COSME ha sido desarrollada dentro de un proyecto de investigación, transferencia y colaboración tecnológica entre la universidad y un grupo industrial fabricante de máquinas herramienta. Dicho proyecto ha permitido que esta plataforma, la metodología y los modelos adaptados hayan sido validados en casos de uso reales

Automation and Robotics: Latest Achievements, Challenges and Prospects

This SI presents the latest achievements, challenges and prospects for drives, actuators, sensors, controls and robot navigation with reverse validation and applications in the field of industrial automation and robotics. Automation, supported by robotics, can effectively speed up and improve production. The industrialization of complex mechatronic components, especially robots, requires a large number of special processes already in the pre-production stage provided by modelling and simulation. This area of research from the very beginning includes drives, process technology, actuators, sensors, control systems and all connections in mechatronic systems. Automation and robotics form broad-spectrum areas of research, which are tightly interconnected. To reduce costs in the pre-production stage and to reduce production preparation time, it is necessary to solve complex tasks in the form of simulation with the use of standard software products and new technologies that allow, for example, machine vision and other imaging tools to examine new physical contexts, dependencies and connections

European Parliament Preparatory Action: "Actual and desired state of the economic potential in regions outside the Greek capital Athens" Final Report

This is the final report of the European Parliament Preparatory Action: "Actual and desired state of the economic potential in regions outside the Greek capital Athens" (hereafter Preparatory Action or PA). It reviews the key activities of this preparatory action, its impacts, the remaining barriers to RIS3 implementation and presents a perspective on the way forward. Providing hands-on support to the refinement and implementation of the RIS3 strategy in the Greek Region of Eastern Macedonia and Thrace (REMTh) has entailed the following activities: • Mutual learning: this has at core element of the preparatory action, and has offered a unique opportunity to all the stakeholders involved to share experiences and build a common understanding of RIS3, its potential and the real challenges to its implementation. • Optimisation of the Entrepreneurial Discovery Process (EDP) – the design, implementation and adaptation of a systematic participatory methodology for the EDP, centred on thematic focus groups. These events enabled the generation and articulation of innovation ideas and initiated the first necessary steps towards concrete projects. • Capacity building - two dedicated working groups were organised: one centred on issues of human resources mobility and one on RIS3 governance. Relevant stakeholders, under the guidance of an expert, discussed and formulated plans on how to tackle the different challenges at stake. • Identification of bottlenecks and systemic failures in RIS3 implementation - the region has good potential for diversification, but faces a wide set of legal and administrative barriers, which need to be addressed to enable the allocation of structural funds and other resources to support RIS3 implementation in an optimal way. • Communication and codification of activities - with the aim of replicating or adapting the activities of the preparatory action and the emerging learning opportunities for other regions, outcomes of all the events have been published on-line, as have methodological guidelines for the EDP process. Furthermore, further publications from these activities are foreseen in the near future. • Supporting tools for internationalisation and collaboration. The preparatory action has developed a set of online resources that aim at guiding the region in increasing its international outlook to RIS3 and its collaboration between research and industry. The Preparatory Action generated some very concrete impacts on the regions, among which the main ones are: • The mobilisation of a critical mass of researchers and business people (600+ people), which actively participated to the EDP focus groups and PDL events. This bottom-up process has increased mutual trust, created a 'momentum' in initiating change and increased the understanding of what RIS3 can contribute to this change. • The appreciation of networking and research-business collaboration across stakeholders and especially between research and business. Indeed, some informal networks have been organised, for instance in the wine and marble sector. • The creation of an action plan for both RIS3 governance and mobility of human resources. • Both the Managing Authority and regional stakeholders have better access to international counterparts, both in governance of RIS3 and in performing research and innovation. • The project has also determined a shift in perception as far as the European Commission is concerned, which is now perceived more as a collaborator. • The PA has stimulated and accelerated a discussion between the EC, regional and national authorities which has help to clarify – for the whole country – several aspects of RIS3 and Structural Funds. • The preparatory action has significantly influenced the way to design and implement the development strategy for the Region by engaging all relevant stakeholders from the outset.JRC.J.2-Knowledge for Growt

Quantitative Corrosion Evaluation and Damage Modeling in Ferrous Materials

Quantitatively measuring corrosion effects and understanding the mechanisms are crucial to modeling this phenomenon and preventing it. The goal of this study is to develop a reliable testing and analysis method for quantitative evaluation and prediction of corrosion damage in ferrous materials. A testing apparatus was built in order to study stainless steel samples under various conditions. An original optical methodology for both surface and cross-section damage evaluation was established, along with standard mass measurements. The change in mass showed an asymptotic decrease, whereas surface area damage increased asymptotically. An analytical relationship between corrosion rate and various controlling parameters was ultimately developed for damage prediction in corroded materials

Droplet-based separation tools for multidimensional biological separations

Proteins have been extensively studied over the last decade as comprehensive understanding of the proteome can definitely lead to the discovery of novel biomarkers, early-stage disease diagnoses and the development of diagnostic tools and novel drug therapies. One of the crucial and fundamental processes in protein analysis is protein separation, which is usually performed as multidimensional separations to achieve high resolution and high peak capacity. However, high performance analyses are difficult to achieve due to the challenges involved in efficiently integrating different dimensions. In this work, we present the development of a microfluidic device for the effective transfer of protein droplets into the second separation dimension. Consequently, the device provides a stable, reproducible, easy to operate, portable and flexible system to connect a first dimension separation to the downstream second dimension analysis via droplets. The droplets act to preserve the resolution during transfer between separation techniques. In summary, a fluorescently labeled protein ladder serving as a representative of proteins separated from the first dimension is compartmentalized into droplets using the robotic droplet generator. These protein droplets are then transferred via the interfacing microdevice into the second dimension where the released proteins are further separated using capillary gel electrophoresis. Herein, several designs of interfacing microdevices were evaluated for the successful transfer of droplet contents (droplet injection) into the second dimension. The buffer for capillary gel electrophoresis was developed to achieve high-speed and high-resolution separations of proteins in droplet-based injection format. Several fluorescent dyes were also examined for protein labeling to achieve high fluorescent intensities necessary when using this droplet format. Successful droplet-based separation of proteins necessitates the seamless integration of all the developed components. This has been demonstrated here. This interface automates the oil depletion process, minimizes dead volume, prevents dispersion of analyte bands and reduces sample loss at the interface between separation dimensions. Furthermore, optimization of the entire system used in conjunction with the interfacing microdevice provided for ease of operation and more efficient droplet injections. Moreover, droplet injection into parallel separation channels was achieved, highlighting the interfaces capacity for high-throughput analyses.Open Acces