The process of crystal nucleation from solution requires, as its initial stage, separation of solute and solvent molecules and simultaneous formation of molecular clusters in order to create a new, nano scale, phase which can subsequently grow to become a crystal. Elucidating the fundamental physics and chemistry that govern the structure of this nucleation transition state remains one of the truly unresolved 'grand challenges' of the physical sciences. Individual nucleation events are localised in space but rather infrequent on the time-scale of a molecular vibration making both experimental detection and molecular modelling of the process difficult. In addition to this, available experimental techniques provide data averaged over both time and space so that extracting insights into the nucleation process may only be achieved through a combination of experiment and modelling. We propose a novel approach to this problem in which we scrutinise the crystallisation of two related molecular systems in hitherto unprecedented depth, building on established state-of-the-art experimental and computational techniques, but combining these, for the first time, with in situ synchrotron radiation (SR) X-ray scattering and spectroscopy methodologies capable of probing long range and local electronic and geometric structure at molecular resolution. Our hypothesis is that, by utilising appropriate experimental conditions, applying these state of the art time resolved scattering and spectroscopic techniques and building cluster models that are consistent with macroscopic features of the systems studied (crystal morphology, polymorphic form, solution chemistry, crystal growth rates), we can deduce a structural model of a nucleation event from the change in averaged solution structure as a function of increasing solution supersaturation and time. We thus expect incisive structural information for every step of the nucleation process: measured molecular scale properties can be used to confront computational predictions at molecular, supra-molecular and solid-state levels, so that the structural and size parameters for the nucleation pathway are revealed. A step change in our understanding of this area of science is thus expected.

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.

Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.

The selective laser melting process is a promising large-scale additive manufacturing (or 3D printing) technique that allows for rapid production of prototypes, and lately for weight-sensitive/multi-functional parts at small volumes, with almost arbitrary complexity. The process builds the final parts layer-upon-layer by going through three main stages during each cycle: (1) deposition of a layer of fine powder (with a typical grain size of approximately 0.03 mm) on a fabrication surface to form a thin bed of powder, which is only marginally thicker than the average grain size; (2) a laser beam then melts the powder bed at specific locations, based on a 3D computer model of the final product; (3) the powder grains then fuse at those locations after cooling and solidifying to produce a layer of the final product. In general, the selective laser melting process and additive manufacturing provide several advantages compared to conventional manufacturing techniques, such as greater design freedom, mass customisation and personalisation of products, production of complex geometries to improve performance and reduce labour costs, decreased wastage of precious materials, and new business models and supply chains. However, several challenges also exist. For example, a lack of understanding of the impact of powder grain shape on the underlying physical processes has forced the industry to require the majority of individual powder grains to be spherical. Such a stringent requirement increases the cost of powder (raw material), which consequently increases the production cost and hinders the development of new processes and the introduction of new materials. To address this issue, high-quality research software for process simulation is required to complement experiments and to enable new scientific discoveries and innovations. The present research programme addresses this technological need by providing a novel computational package capable of modelling various complex physical phenomena underlying the selective laser melting process. To achieve this, high-performance computing will be used to track the motion of individual grains in the system, their interaction with a laser beam, and their phase changes. This computational package will then be used to uncover the complex impact of powder grain shapes on the absorption and scattering of a laser beam within the bed and the following rapid melting process. Furthermore, it is hypothesised that elongated or satellite-spherical particles with small inclusions on their surfaces (grain shapes which are commonly present in powders and are generally considered undesirable) can, in fact, improve the process if their number densities are carefully selected. This hypothesis will be tested here for the first time, which can greatly reduce the cost of raw materials for selective laser melting, which results in wider adoption of this enabling technology.

Additive manufacturing (AM), or 3D printing, is an exciting new form of industrial production that promises to revolutionise sectors as diverse as healthcare, energy, aerospace, and transport. By allowing stronger, lighter, and more complex components to be formed from a variety of materials, AM will play a critical role in meeting emerging technological needs over the coming decades. One area in which AM is already generating huge excitement is in bone tissue engineering for the production of implants for patients who have degenerative diseases or who need, for example, facial reconstruction following an accident or cancer. However, making large and load-bearing implants reproducibly is still a significant challenge. AM theoretically allows the reproduction of extremely complex geometries while also accounting for variation in the structural, mechanical, and cellular properties of bone tissue. Such flexibility will be essential to produce load-bearing 3D printed bones that have the strength to replace metal-based implants but which also mimic intricate vascular networks. Much of the flexibility of AM arises from its use of composites which combine the desirable properties of several different materials. Increasingly, in a form of AM that uses a laser to continually melt (sinter) the composite material, polymers are mixed with nano-carbon to make materials stronger and more conductive. However, an outstanding challenge in the field is to ensure that the carbon is evenly distributed throughout the matrix polymer to produce printed components with reliable properties. We also need to be able to monitor nanocarbon distribution in real time during AM which will require new, innovative methods of advanced metrology. Using the unique facilities and experience of our team, we will address these engineering challenges to provide the AM community with a step-change in their ability to produce bespoke high-quality components. To do this, we will build on significant breakthroughs we have recently made in developing new methods of hyperspectral imaging, that is, techniques that allow us to map the chemical and structural properties of a material and how these change under different conditions. Using electrons as a probe provides information on how nanocarbon particles interact with each other and their environment, for example, when heated with a laser. Such information is critical to optimise AM processes but, because this technique operates at the nanometer level, it is not practical for monitoring whole components whilst they are printed. For this, we will use another method of hyperspectral imaging based on thermal emission, similar to how we can measure temperature from the familiar glow emitted by hot coal in a fire. By combining these methods of electron imaging and thermal emission detection, we will be able to control how nanocarbon is distributed throughout a composite material and how this affects critical macroscale properties such as porosity, conductivity, strength, and surface finish. Together, this new hyperspectral imaging framework will benefit researchers and industry using AM for various applications leading to gains in cost, yield, energy efficiency, and lifetime. Once our framework is established, we will demonstrate its effectiveness by applying it to AM of bone tissue scaffolds from a novel composite we will develop containing nanocarbon mixed with a biocompatible polymer. By optimizing the laser heating process and controlling nanocarbon distribution and state, we will make scaffolds that are fit for clinical use, as validated through tests with our industry partner Lucideon. Other partners include NPL, ASTeC, YPS, Spintex, and FBK who will enhance the impact of our project through applications in Li ion batteries, pharmaceuticals, energy materials, and accelerator technologies.