We use a vast range of products directly or indirectly in everyday life. These range from soups to baby-foods to feed us; paints and coating products to provide robust structural materials; plastics and composites to create many products; and pharmaceutical drugs to fight disease. They share a similar manufacturing method in which raw materials (or reagents) are combined through physical or chemical means, and known as a 'process'. This takes place in a 'process vessel', which is often sealed, under pressure and at elevated temperature. Critical aspects of such processes are efficiency, product quality, energy use and emissions impact. The core aim of this project is to stimulate new sensing products that can enhance these aspects and exploit their markets through licences.The project builds upon our background science and experimental technology, which an estimation of the internal (invisible) distribution of process materials. These innovations harness two principles: spectroscopy - the identification of specific materials; and, tomography - the identification of the distribution of components within the process vessel (similar to methods to 'see inside' human bodies for medical diagnosis). Electrical energy using a 'compressed wide-band' is used, both to give the 'spectral' coverage and to provide fast response to suit dynamic processes. The project aims to provide a demonstration level for specific trial applications; to offer licensees a clear path for onward development into the two product forms: a 'point sensor' form, to identify materials in its immediate vicinity; and a 'zone sensor' form, to identify the distribution of specific materials. Increased knowledge empowers design and/or control to deliver major benefits to process end users: increased productivity and product quality, reductions in emissions and waste products, reduced energy demand and resulting carbon impacts. In illustration we can consider the advantages offered in two product examples. Pharmaceutical compounds are produced using crystallisation processes which are highly variable and can have poor yields such that some batches may not meet tight product specifications. This results in waste of energy, raw materials, and in the costly disposal of the useless out-of specification product. Here a Spec_zone sensor can transform 'process-knowledge' to allow 'smarter control, and gain a major increase in 'on-specification' yield, gaining obvious major benefits. These are very high value products and hence financial business savings can be large. The manufacture of foodstuffs follows a conventional recipe: such as mixing and cooking natural ingredients such as chopped vegetables in water. Unwanted objects in the product such as natural materials such as stalks and large seeds, and unnatural materials such as small pieces of metal or plastic are a possibility. Although these may be unpleasant for adults in products such as soups (but still present a serious 'brand' quality issue for the manufacturer) they may be dangerous if present in baby-foods. It is easy to find metals, using x-ray detectors on a pipeline, but much more difficult to find small objects, such small pieces of plastic or wood which can be detected by the 'wide-band' Spec_point sensor.In conclusion the ability to estimate the presence and concentration of specific materials and their distribution offers major benefits in effective process management. The project will provide demonstrations and concept details to enable licensees to develop future products, based on the Spec_point and Spec_zone concepts. It will include detailed application sectors studies to highlight potential early adopters. It is supported by two instrumentation suppliers who have expressed a keen interest in evaluation, and both have diverse markets and customers who are likely to be involved in evaluations.

When scientists investigate problems like all good detectives they need clues as to what is happening. For a whole range of key problems, techniques that can reveal the local environment around an atom are crucial to provide insight into the structure at this level. Nuclear Magnetic Resonance (NMR) spectroscopy has increased in importance as it is an element specific probe that can distinguish very small changes in the surroundings of different sites (e.g. the number of corners by which an SiO4 unit is connected into a structure) which has become important throughout the sciences. Its major drawback is the intrinsically relatively weak signal due to the small thermally derived population differences between nuclear energy levels. NMR of solids was revolutionised with the implementation of cross-polarisation that transferred magnetisation from nuclei with high magnetic moments (e.g. 1H) to more dilute nuclei with smaller magnetic moments (e.g. 13C) that yielded a factor of ~4 increase in the 13C NMR signal strength. Today there is very significant effort with a wide range of approaches to try and increase the size of the NMR signal still further and considerable investment to achieve even a few tens of percent increase. Dynamic nuclear polarisation (DNP) is a technique that uses unpaired electron spins to boost the NMR signal by as much as 100,000. Although the effect has been known from theory and experiments at low magnetic fields for sometime, it is only now that this can be put into practice, with the whole experiment carried out at high magnetic field. This is possible now because high field magnets of sufficient flexibility and robustness can be manufactured, and the production of microwaves (similar to a microwave oven although much higher frequency) at high frequencies and with sufficient power for DNP to work at up to 395 GHz is becoming feasible. This proposal seeks to bring this technology together in a new instrument to now carry out DNP at magnetic fields up to 14.1 T on solid materials and to develop the technology to use both continuous wave and pulsed DNP at these fields. Huge gains in sensitivity will result from both the DNP effect itself which in thermal equilibrium, could offer potential enhancements of the ratio of the gyromagnetic ratio of the electron to that of the nucleus, a factor of >2500 for 13C, combined with MAS operation at ~90K further increasing the enhancement via the thermal Boltzmann factor. The instrument would produce DNP at NMR frequencies much beyond those yet reported and thus allow modern high resolution solid state NMR experiments to be undertaken with gains over conventional NMR of 100-1000 routinely expected. Quadrupolar nuclei (especially those with non-integer spins), which make up >75% of the NMR-active nuclei, have largely been precluded from DNP because the nuclear resonance is too broad at current DNP magnetic (Bo) fields. This second-order quadrupolar broadening demands the use of high Bo and the instrument proposed here would have sufficiently high Bo to open up their study by DNP. The wide frequency capability of the instrument would provide new insight into the physics of high field DNP allowing, for the first time, an optimum technology to be developed in this emerging field. The versatility of the instrument proposed means that, with the same equipment, one could also carry out world-leading pulsed EPR and ENDOR experiments. The project is driven by the multidisciplinary applications in areas of huge importance as diverse as structural biology and fuel cell/electrochemistry technology. The DNP approach will allow NMR to be considered where hitherto sensitivity would have prohibited its use because of the sample size and/or the number of spins of interest are limited. The development of this technology would have an immediate and profound effect on UK research capability in a number of key areas of science and technology.

Granular materials are ubiquitous in nature and in various industries, such as chemicals, pharmaceuticals, food and ceramics. Their thermomechanical behaviours are governed by the interactions between solid particles, as well as between particles and the surrounding media (gas or liquid). Although granular materials have been investigated extensively, there are still some unsolved challenging issues concerning the thermomechanical behaviours, including heat generation (i.e. self-heating) and transfer, and thermal effects on material properties and process performance. Furthermore, the unique thermomechanical attributes have led to emerging applications with granular materials, such as additive manufacturing, powder coating, high quality composites, insulation and efficient thermal processing for energy conservation, but there is a lack of mechanistic understanding of thermomechanical behaviour of granular materials in these emerging applications. MATHEGRAM will hence deliver a timely, concerted research and training programme to address these challenges, bringing together a multi-disciplinary and inter-sectorial consortium consisting of 6 leading academic institutes, 4 non-academic beneficiaries and 6 partner organisations from 8 EU member states. Our vision is to develop robust new numerical models and novel experimental techniques that can predict and characterise heat generation and transfer, as well as thermal effects in granular materials. The enhanced mechanistic understanding of granular materials will enable them to be used in diverse industries, while also achieving energy conservation and CO2 emission reduction. We will also train a cohort of 15 ESRs with balanced gender, who will be the next generation scientific and technological leaders with competency and the research and transferable skills to work effectively across disciplinary and sectoral boundaries.

The CDT proposal 'Fuel Cells and their Fuels - Clean Power for the 21st Century' is a focused and structured programme to train >52 students within 9 years in basic principles of the subject and guide them in conducting their PhD theses. This initiative answers the need for developing the human resources well before the demand for trained and experienced engineering and scientific staff begins to strongly increase towards the end of this decade. Market introduction of fuel cell products is expected from 2015 and the requirement for effort in developing robust and cost effective products will grow in parallel with market entry. The consortium consists of the Universities of Birmingham (lead), Nottingham, Loughborough, Imperial College and University College of London. Ulster University is added as a partner in developing teaching modules. The six Centre directors and the 60+ supervisor group have an excellent background of scientific and teaching expertise and are well established in national and international projects and Fuel Cell, Hydrogen and other fuel processing research and development. The Centre programme consists of seven compulsory taught modules worth 70 credit points, covering the four basic introduction modules to Fuel Cell and Hydrogen technologies and one on Safety issues, plus two business-oriented modules which were designed according to suggestions from industry partners. Further - optional - modules worth 50 credits cover the more specialised aspects of Fuel Cell and fuel processing technologies, but also include socio-economic topics and further modules on business skills that are invaluable in preparing students for their careers in industry. The programme covers the following topics out of which the individual students will select their area of specialisation: - electrochemistry, modelling, catalysis; - materials and components for low temperature fuel cells (PEFC, 80 and 120 -130 degC), and for high temperature fuel cells (SOFC) operating at 500 to 800 degC; - design, components, optimisation and control for low and high temperature fuel cell systems; including direct use of hydrocarbons in fuel cells, fuel processing and handling of fuel impurities; integration of hydrogen systems including hybrid fuel-cell-battery and gas turbine systems; optimisation, control design and modelling; integration of renewable energies into energy systems using hydrogen as a stabilising vector; - hydrogen production from fossil fuels and carbon-neutral feedstock, biological processes, and by photochemistry; hydrogen storage, and purification; development of low and high temperature electrolysers; - analysis of degradation phenomena at various scales (nano-scale in functional layers up to systems level), including the development of accelerated testing procedures; - socio-economic and cross-cutting issues: public health, public acceptance, economics, market introduction; system studies on the benefits of FCH technologies to national and international energy supply. The training programme can build on the vast investments made by the participating universities in the past and facilitated by EPSRC, EU, industry and private funds. The laboratory infrastructure is up to date and fully enables the work of the student cohort. Industry funding is used to complement the EPSRC funding and add studentships on top of the envisaged 52 placements. The Centre will emphasise the importance of networking and exchange of information across the scientific and engineering field and thus interacts strongly with the EPSRC-SUPERGEN Hub in Fuel Cells and Hydrogen, thus integrating the other UK universities active in this research area, and also encourage exchanges with other European and international training initiatives. The modules will be accessible to professionals from the interacting industry in order to foster exchange of students with their peers in industry.

The MarketPlace consortium will utilise state of the art information technologies to build an open web-based integrated Materials Modelling and Collaboration platform that acts as one-stop-shop and open Marketplace for providing all determining components that need to be interwoven for successful and accelerated deployment of materials modelling in industry. This includs linking various activities and databases on models, information on simulation tools, communities, expertise exchange, course and training materials, lectures, seminars and tutorials. The proposed MarketPlace will be a central-hub for all materials modelling related activities in Europe and provide tangible tools to connect disparate modelling, translators, and manufacturing communities to provide a vibrant collaboration web-based tool for the advancement of materials modelling in European manufacturing industry. The developed platform will include mechanisms for the integration of interoperable set of advanced materials model workflows for coupling and linking of various discrete (electronic, atomistic, mesoscopic) and continuum models. This will be achieved by developing open and standard post and pre-processing methods that allow complex flow of information from one model to another for both strongly and loosely coupled systems. The Marketplace platform will include access to concerted set of federated databases of materials models, materials data and provide for access to experimental characterisation and stimulate the development of interface wrappers and open simulation platforms. The MarketPlace consortium aims to strengthen the competitiveness and lower the innovation barrier for European industry for product development and process design and optimization using materials modelling.