An ever increasing body of legislation and regulation is transforming the UK’s energy system and its surrounding national energy framework. Depending on the mechanisms that result from this process, new forms of engagement with energy, particularly electricity, might emerge. The current trajectory of UK energy policy leans towards a centralised scenario with a portfolio of centralised renewable energy technologies (i.e. geographically concentrated such as offshore wind), nuclear power stations and gas fired power stations with the option of Carbon Capture and Storage technologies if it becomes a commercially viable option (CCC, 2011). Forecasts predict that a combination of these technologies could place the UK on the right path to reach its 2050 carbon reduction commitments (UKERC, 2008). However, this approach fails to take broader benefits of decentralisation and localisation into account and many official documents such as the Microgeneration Strategy (DECC, 2011a) and those surrounding Community Energy Online (DECC, 2011b) point to a need for greater public engagement in the generation of energy in order to ‘derive greater benefits locally’ (DECC, 2011a: 45). The question remains in how far these diverging objectives can be achieved within the current regulatory environment as there is a lack of coordinated incentives in place to facilitate the development of new scales and ownership structures capable of promoting new forms of engagement at scales below the point at which economies of scales apply. This thesis seeks to establish what barriers are preventing community energy with the capacity to increase acceptance of renewable energy technologies while also contributing towards climate change action, energy security and the strengthening of local economic cycles from becoming more widely embedded in the UK. The main focus is on how ‘niche creation’ policies such as the feed-in tariff might provide the basis for overcoming these barriers by diffusing new scales and ownership structures of renewable energy technologies. Accompanying social innovations could potentially include more meaningful engagement with energy in general and renewable energy in particular, while also enabling communities willing to invest in renewable energy technologies to build resilient local energy infrastructures with the capacity to reduce the impact of increasing energy insecurity, fossil-fuel depletion and climate change constraints. In order to appreciate the potential of community energy in the UK, parallels are drawn to the governance of national energy frameworks in other European countries, Germany and Denmark in particular, that have provided the basis for successful community energy engagement.

<p> This project is concerned with medium energy heavy ion (60 KEV 75As, 40Ar, 120 KEV 150As2) implantation into single crystal iron at room temperature and 35°K. Resulting crystal properties are measured using the technique of high energy light ion (1.0 MEV 4He) channeling and backscattering. The phenomenon of oxygen recoil implantation by the bombarding ion is found to be an important effect to avoid if radiation damage is to be measured. In cases where oxygen recoil implantation has been eliminated, radiation damage was evident from an increase in the minimum channeling yield. The existence of damage beyond the expected damage range at room temperature is attributed to diffusion of defects. Some annealing of damage is observed in samples which have been damaged at 35°K and warmed to room temperature. At doses of about 10^16 atoms/cm^2, 80(±10)% of the implanted As is found to be at lattice sites.</p> <p> The merits and limitations of this technique as a simulation of 14 MEV neutron radiation damage are also discussed.</p> / Thesis / Master of Engineering (MEngr)

The deployment of renewable energy (RE) technologies for electricity generation is a central element of the European energy and climate strategy and was laid down in binding targets on EU-level. The actual RE technology diffusion is, however, shaped by the framework conditions and support measures implemented in the individual EU Member States. This dissertation aims at contributing to a more integrated view of the influencing factors (determinants) for the deployment of RE technologies. To this end, a conceptual framework is drawn up to assess the boundary conditions for RE diffusion from the RE developer’s perspective. The framework is operationalised using a composite indicator (CI) approach and applied in a diffusion model to allow the anticipation of possible future technology deployment. The thesis concentrates on two mainstream RE technologies, namely onshore wind and non-residential PV, and focuses on European countries. Within the analysis, particular emphasis is placed on providing a holistic assessment of the impact of economic and non-economic determinants on the diffusion of RE technologies at national level. The assessment aims at understanding RE developers’ preferences and rationalities regarding the overall framework conditions for RE deployment in order to identify the drivers for and barriers to technological change and to facilitate efficient policy design and regulatory transformation. The most relevant diffusion determinants from the viewpoint of RE project developers are identified through literature research and moderated expert workshops. The relative relevance of the determinants in the diffusion process is then assessed based on an EU-wide questionnaire that resulted in the collection of >200 datasets. Building on this broad empirical basis, a composite indicator (CI) is developed for the diffusion of non-residential PV and wind onshore. The CI provides a transparent framework for the quantification of the diffusion determinants and allows an evaluation and benchmarking of national RE frameworks. In a further step, the CI is integrated in a diffusion model which enables projections of possible future market developments under different configurations of the national RE framework. This modelling approach applies and further develops established logistic models of technology diffusion. The overall approach is validated by applying it to three case study countries: Germany, Spain and the United Kingdom. Data collection in these case study countries involved, among others, semi-structured interviews with 31 RE experts. The different regulatory framework conditions in the three countries lead to 3 different CI results and projected technology diffusion. The results verify the robustness of the approach and the applicability of the concept to different national contexts. The findings of this thesis contribute to the methodological and empirical basis for understanding and modelling technology diffusion processes in general and RE technology diffusion in particular. The approach developed in this thesis further improves the scientific basis for the evaluation of RE support policies and can contribute to RE targets being achieved in an efficient and sustainable way.

Mecanismos de difusão de energia vibracional em biomoléculas têm sido relacionadas a função, alosterismo e sinalização intramolecular. Neste trabalho nós utilizamos uma metodologia computacional para analisar o fluxo de energia em proteínas. Simulações de Dinâmica Molecular são utilizadas para o estudo de difusão térmica, provendo artifícios que não são possíveis experimentalmente: a proteína é esfriada a baixas temperaturas e apenas um resíduo é aquecido através do acoplamento de um banho térmico. Consequentemente, o calor flui do aminoácido aquecido para a proteína, revelando os caminhos da difusão da energia vibracional. Pelo fato de que proteínas termoestáveis possam ter particulares mecanismos de relaxação, distribuição e dissipação da energia vibracional, elas são sistemas interessantes para serem utilizadas por este método. Um padrão de difusão de calor de uma proteína termofílica pode ser identificado e comparado com outro de uma proteína homóloga mesofílica. Aqui estudamos um conjunto de proteínas em particular, as pertencentes à família 11 de Xilanases. O mapa de difusão térmica obtido da proteína no vácuo mostrou diferenças entre xilanases mesofílica e termofílica, e termofílica e hipertermofílica: qualquer que seja o resíduo aquecido, aminoácidos específicos respondem com alta temperatura. Esta resposta em alta energia de certas regiões é decorrente de processos de relaxação. Simulações adicionais e outras análises, como da mobilidade de cada resíduo, levam à hipótese que estas regiões de superfície possuem grande flexibilidade e uma importante interação estrutural com a água. Mapas de difusão térmica para duas proteínas homólogas, diferindo em apenas 7 mutações, sendo 6 delas no N-terminal, apresentam-se diferentes nesta região. Em especial, a mutação Ser35Glu se destaca tanto no mapa quanto em outras medidas realizadas, apresentando-se na proteína mais estável com um maior nível de mobilidade, solvatação e energia de interação. Simulações em água não resultaram em padrões de difusão diferentes, por não apresentarem processos de relaxação. Entretanto, elas evidenciaram as mesmas regiões frias para cinco xilanases da família 11, especialmente o núcleo e a região de ligação do substrato, sugerindo uma possível característica funcional de difusão de calor. Por fim, evidenciado pelos mapas, observou-se que a região do cordão de xilanases termoestáveis, em especial a hipertermoestável, é maior se comparado à proteína mesofílica. Desta forma, através de comparações entre mapas de difusão e estruturas de proteínas similares, esta metodologia pode sugerir novas abordagens em engenharia racional de proteínas com estabilidade modulada. / Vibrational energy dissipation in biomolecules have been related to function, in particular alosterism and intramolecular signaling. In this work, we use a computational method to analyze the energy flux through proteins. Molecular Dynamics simulations are used to study thermal diffusion in protein structure, in an artificial way which is not accessible experimentally: the protein is cooled down to very low temperatures and a single residue is heated by coupling a thermal bath to it. Heat flows from the heated residue to the rest of the protein, revealing the paths of vibrational energy dissipation. Since thermostable proteins may have specific mechanisms for vibrational energy relaxation, dissipation and distribution, they are interesting subjects for the application of the present methodologies. The heat dissipation patterns of thermophilic proteins can be compared to the ones of less stable structures. Here, we focus in a specif set of proteins known as Xylanases of Family 11. The thermal diffusion maps obtained for hiperthermostable, thermostable and mesphilic xylanases in vacuum were different, some of them displaying apparent thermal responses whatever the heated residue. These high temperature regions appeared because of differential structural relaxation processes in each structure. The analysis of the mobility of the structures in equilibrium simulations revealed that these regions are mobile and belong to the surface of the proteins, thus interacting significantly with water molecules. Thermal diffusion maps for homologous proteins differing in only 7 residues, being 6 of them at the N-terminal region of the proteins, were different in this region. One particular mutation was determined to be more mobile in the less thermostable protein, as well as displaying a higher solvation and stronger interaction energies with remaining protein structure. Thermal diffusion simulations in water were not able to discern any difference between the structures, particularly because the relaxation processes observed in vacuum were suppressed. Nevertheless, these maps reveal that every Xylanase display the same cold regions, which were observed to belong the protein core and the catalytic site, suggesting that thermal diffusion may have some functional role. Finally,we observed that a loop which relaxed systematically in thermostable protein resulting in high temperatures is larger than in non-thermostable structures. The addition of the loop to nonthermostable proteins make the maps equivalent. Therefore, the comparison of the thermal diffusion maps of similar structures highlight important structural differences which may be useful for providing insights into the design of proteins with modulated thermal stability.

Mecanismos de difusão de energia vibracional em biomoléculas têm sido relacionadas a função, alosterismo e sinalização intramolecular. Neste trabalho nós utilizamos uma metodologia computacional para analisar o fluxo de energia em proteínas. Simulações de Dinâmica Molecular são utilizadas para o estudo de difusão térmica, provendo artifícios que não são possíveis experimentalmente: a proteína é esfriada a baixas temperaturas e apenas um resíduo é aquecido através do acoplamento de um banho térmico. Consequentemente, o calor flui do aminoácido aquecido para a proteína, revelando os caminhos da difusão da energia vibracional. Pelo fato de que proteínas termoestáveis possam ter particulares mecanismos de relaxação, distribuição e dissipação da energia vibracional, elas são sistemas interessantes para serem utilizadas por este método. Um padrão de difusão de calor de uma proteína termofílica pode ser identificado e comparado com outro de uma proteína homóloga mesofílica. Aqui estudamos um conjunto de proteínas em particular, as pertencentes à família 11 de Xilanases. O mapa de difusão térmica obtido da proteína no vácuo mostrou diferenças entre xilanases mesofílica e termofílica, e termofílica e hipertermofílica: qualquer que seja o resíduo aquecido, aminoácidos específicos respondem com alta temperatura. Esta resposta em alta energia de certas regiões é decorrente de processos de relaxação. Simulações adicionais e outras análises, como da mobilidade de cada resíduo, levam à hipótese que estas regiões de superfície possuem grande flexibilidade e uma importante interação estrutural com a água. Mapas de difusão térmica para duas proteínas homólogas, diferindo em apenas 7 mutações, sendo 6 delas no N-terminal, apresentam-se diferentes nesta região. Em especial, a mutação Ser35Glu se destaca tanto no mapa quanto em outras medidas realizadas, apresentando-se na proteína mais estável com um maior nível de mobilidade, solvatação e energia de interação. Simulações em água não resultaram em padrões de difusão diferentes, por não apresentarem processos de relaxação. Entretanto, elas evidenciaram as mesmas regiões frias para cinco xilanases da família 11, especialmente o núcleo e a região de ligação do substrato, sugerindo uma possível característica funcional de difusão de calor. Por fim, evidenciado pelos mapas, observou-se que a região do cordão de xilanases termoestáveis, em especial a hipertermoestável, é maior se comparado à proteína mesofílica. Desta forma, através de comparações entre mapas de difusão e estruturas de proteínas similares, esta metodologia pode sugerir novas abordagens em engenharia racional de proteínas com estabilidade modulada. / Vibrational energy dissipation in biomolecules have been related to function, in particular alosterism and intramolecular signaling. In this work, we use a computational method to analyze the energy flux through proteins. Molecular Dynamics simulations are used to study thermal diffusion in protein structure, in an artificial way which is not accessible experimentally: the protein is cooled down to very low temperatures and a single residue is heated by coupling a thermal bath to it. Heat flows from the heated residue to the rest of the protein, revealing the paths of vibrational energy dissipation. Since thermostable proteins may have specific mechanisms for vibrational energy relaxation, dissipation and distribution, they are interesting subjects for the application of the present methodologies. The heat dissipation patterns of thermophilic proteins can be compared to the ones of less stable structures. Here, we focus in a specif set of proteins known as Xylanases of Family 11. The thermal diffusion maps obtained for hiperthermostable, thermostable and mesphilic xylanases in vacuum were different, some of them displaying apparent thermal responses whatever the heated residue. These high temperature regions appeared because of differential structural relaxation processes in each structure. The analysis of the mobility of the structures in equilibrium simulations revealed that these regions are mobile and belong to the surface of the proteins, thus interacting significantly with water molecules. Thermal diffusion maps for homologous proteins differing in only 7 residues, being 6 of them at the N-terminal region of the proteins, were different in this region. One particular mutation was determined to be more mobile in the less thermostable protein, as well as displaying a higher solvation and stronger interaction energies with remaining protein structure. Thermal diffusion simulations in water were not able to discern any difference between the structures, particularly because the relaxation processes observed in vacuum were suppressed. Nevertheless, these maps reveal that every Xylanase display the same cold regions, which were observed to belong the protein core and the catalytic site, suggesting that thermal diffusion may have some functional role. Finally,we observed that a loop which relaxed systematically in thermostable protein resulting in high temperatures is larger than in non-thermostable structures. The addition of the loop to nonthermostable proteins make the maps equivalent. Therefore, the comparison of the thermal diffusion maps of similar structures highlight important structural differences which may be useful for providing insights into the design of proteins with modulated thermal stability.

Le sujet de thèse concerne l’analyse de la propagation des ondes dans les structures complexes et leurs exploitations pour le contrôle semiactif et le contrôle de santé de structures intelligentes. Les structures composites munies de patches piézoélectriques sont la cible principale des investigations. Les patches piézoélectriques sont disposés avec une périodicité. Des travaux précédents ont montré l’intérêt de ce type de configuration pour l’amortissement actif de modes de structures en basses fréquences. L’objectif principal de cette thèse est l’extension de ces constatations dans une bande de fréquences plus large : basses et moyennes fréquences. La maîtrise des paramètres de propagation et de diffusion des ondes est la finalité recherchée. Dans ce cadre, les travaux proposés se baseront sur une technique particulière développée au sein de l’équipe Dynamique des Systèmes et des Structures: la technique WFE (Wave Finite Element), Ondes par éléments finis. Cette approche, construite à l’aide d’un modèle éléments finis d’une cellule représentative de l’essentiel des paramètres de propagation et de diffusion des ondes dans les structures. Elle a été validée sur des cas simples de structures, principalement isotrope monodimensionnel. La modélisation dans ce cas des sandwichs plaques composites munies de couches piézoélectriques sera opérée. Des simulations numériques poussées seront effectuées afin de cerner le cadre d’application de la WFE pour ce type de structures. Des optimisations pourront être réalisées avec ces outils numériques afin d’obtenir des paramètres géométriques et électriques optimaux dans la conception des structures intelligentes. Les travaux de cette thèse sont intégrés dans le projet CALIOP en collaborant avec le laboratoire de Mécanique Appliquée R.Chaléat de l’Institut FEMTOSTet G.W. Woodruff School of Mechanical Engineering de Georgia Institute of Technology. / The analysis of wave propagation in complex structures and its application for the semi-active control of smart structures and health monitoring of these structures are dealt with in this thesis. The design of composite structures with shunted piezoelectric patches is one of the main objectives of all the investigations. This kind of smart composite structures is equipped with periodically distributed shunted piezoelectric patches. Former studies have shown the great interest of such a configuration for the active damping of structural modes at low frequencies. This thesis is focused on the extension of all these interesting characteristics of the smart structures to a larger frequency band: low and medium frequencies. The mastering of the propagation parameters and energy diffusion characteristics is targeted. In this context, the proposed work is based on techniques specifically developed in the research team "Dynamics of Systems and Structures"(D2S): the Wave Finite Element (WFE) method and Diffusion Matrix Model(DMM). The WFE approach is constructed via the finite element model of a unit cell, representative of the waveguide structure. It enables the calculation of essential wave propagation parameters like wavenumbers. The DMM, associated with the WFE approach, enables the calculation of energy diffusion characteristics like reflection and transmission coefficients of specific wave modes. These approaches are extended to consider shunted piezoelectric elements and then to evaluate the performance of shunted piezoelectric patches on the control of wave propagation in the aforementioned smart composite structures. Intensive optimizations can be carried out, with these tools, so as to obtain optimal geometric and electric parameters in the design of these smart structures. The present work is integrated in the CALIOP project in cooperation with the Laboratory of Applied Mechanics R.Chaléat at FEMTO-ST Institute and the G.W. Woodruff School of Mechanical Engineering of Georgia Institute of Technology.