Doctoral Training Partnerships: a range of postgraduate training is funded by the Research Councils. For information on current funding routes, see the common terminology at https://www.ukri.org/apply-for-funding/how-we-fund-studentships/. Training grants may be to one organisation or to a consortia of research organisations. This portal will show the lead organisation only.

The price of oil continues to increase and there is no end in sight. Therefore it is important to increase production of alternative, sustainable, energy and to be able to store this energy. This proposal tries to develop rules for the design of new materials for advanced (lithium) batteries, solar_ cells and for storage of hydrogen. This is done by performing computer simulations of these materials using advanced simulation techniques, such as ab initio simulation and molecular dynamics, in which the motion of atoms and molecules is followed in the computer. These simulations provide a detailed understanding of the behaviour of materials and how this can be changed for example by adding small amounts of atoms or molecules (this is called heteroion doping). They give precise information on the atomistic structure of a material and how atoms are transported (migrate) through the structure. Using this we can obtain an understanding of the relation between structure of a material and its performance. This in turn allows us to suggest new structures with desirable properties and ways of producing these materials.In batteries the electrode materials have to be able to take up lithium ions and release these again a large number of times as the battery gets charged and decharged. For the battery performance the following factors are important: the voltage difference between the electrodes, how many lithium ions go into and out of the electrodes, how fast can they go in and out and how often. With computer simulations we can monitor and learn to understand how these properties are affected as we change the materials. Using this we can obtain an understanding of the relation between structure of a material and its performance. Examples of new materials are nanosheets and nanotubes of titanium dioxide. Nanotubes are tubular molecules with properties that makes them potentially extremely useful for many applications, particularly in small scale electric and mechanical devices. Nanosheets are extremely thin layers composed of atoms or molecules, such as titanium dioxide. Using our simulations we will study how these new materials perform in batteries, solar cells and as materials for the storage of hydrogen.Such studies will be carried out for a number of materials, such as ceramic oxides and nanocomposites, that is materials which are made of dissimilar components and mixed at an extremely fine (nano-)meter scale.To carry out these studies we also need to develop some new methods for simulating these materials. In particular when defects, such as missing or extra ions, are present new techniques for calculating their properties will be designed.

Particle accelerators have many varied applications and their uses in medicine and industry are transforming lives. Yet, whilst the discovery of the Higgs Boson and CERN's Large Hadron Collider captured the public's imagination like few other recent scientific developments, the public remains largely unaware that accelerators have any uses apart from particle physics research. 'Accelerators for Humanity' will address this gap by curating a programme cutting across live events and digital video resources. The project will capture the dedication of particle accelerator researchers in STFC-funded facilities and highlight the varied ways in which their work is impacting on our lives in areas such as medicine, food safety and nuclear power. It will utilise the experience of the Royal Institution (Ri) Channel video production team, and the organisation's 200-year expertise in communicating in-depth science to the public. For example, the STFC-funded 'Ri Crystallography' collection to date has been viewed nearly 400k times. The project will include a public talk by STFC-funded Dr Suzie Sheehy and a debate featuring a panel of particle accelerator researchers. In her talk Dr Sheehy will discuss her work designing accelerators and their potential future applications in areas such as the treatment of cancer. The panel debate will focus on the challenges faced by researchers designing today's accelerators for use in answering tomorrow's research questions. Both these events will be filmed and available online as part of a permanent 'Accelerators for Humanity' digital resource. The Ri will also produce a series of short films exploring the human stories of particle accelerator researchers working in STFC-funded facilities, an animation exploring the challenges faced in building accelerators, a science demo video explaining the principle by which accelerators trap and transport charged particles, and an interactive video providing a 360 degree view inside an accelerator. The films will be developed for a general audience and will be released under a Creative Commons license. They will be hosted on the Ri's YouTube channel, which currently has around 200,000 subscribers, as well as being seeded on other media and educational websites. Public discussion through YouTube comments will be encouraged, and this online discussion will be supplemented by social media discussions including an Ri Twitter quiz. A project hub will be created on the Ri's own video website, the Ri Channel, which will act as home to the permanent digital resources. The resources will be distributed to teachers and educators and a project wrap-up event will help raise awareness of the project amongst science communicators and those within the UK particle accelerator research community.

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.

Doctoral Training Partnerships: a range of postgraduate training is funded by the Research Councils. For information on current funding routes, see the common terminology at https://www.ukri.org/apply-for-funding/how-we-fund-studentships/. Training grants may be to one organisation or to a consortia of research organisations. This portal will show the lead organisation only.