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High Performance Computing (HPC) is a key element in our research. The Particle Physics Group has accumulated expertise in the development and optimisation of coding paradigms for specific supercomputer hardware. Our codes are deployed on supercomputers around the world, producing high-profile research results. We have developed a simulation environment, BSMBench, that is, on the one hand, flexible enough to run on major supercomputer platforms and, on the other hand, pushes supercomputers to their limits. These codes are used by IBM and Fujitsu Siemens for benchmarking their large installations and mainframes. The third party company BSMBench Ltd has commercialised the usage of our codes for analysing and optimising HPC systems of small and medium-sized enterprises.
This case study describes the creation and use of advanced simulation technology by international mining corporations to optimise high value metal recovery. The technology involved the development of advanced novel computational methods and software tools to model industrial scale heap leach processes for large scale industrial application at major mining operations. This focus on the development of optimised operational strategies has produced considerable economic benefits measured in the $multi-millions to industrial sponsors, including $58 million dollars in additional revenue for one multi-national corporation over one year following the adoption of engineered heaps based upon the advanced simulation tools from Swansea.
The High Performance Computing (HPC) application code HELIUM, developed at Queen's University Belfast to assist the development of attosecond technology, has impacted on the provision of public services through guiding procurement and acceptance testing of the high-performance computer facility HECToR. This facility was funded by UK Government with a total expenditure of £113M during 2007 - 2013. The HELIUM code was used for procurement and acceptance testing for the initial HECToR service in 2007 (Phase 1, 11k cores), and its upgrades in 2009 (Phase 2a, 22k cores), 2010 (Phase 2b, 44k cores) and 2011 (Phase 3, 90k cores). The HELIUM code was particularly invaluable in demonstrating that the Phase 2b and Phase 3 systems perform correctly at pre-agreed performance levels, since this code can be adapted to run for several hours over >80k cores.
A computational aerodynamics design system (FLITE) developed by Swansea researchers has been of significant economic benefit to the aerospace industry. When introduced, the unstructured mesh FLITE approach was considered by BAE Systems to be a step change in their design cycle. Using FLITE, highly complex modern aerospace configurations could be analysed in short timescales. The FLITE system has since been utilised by a number of international organisations. Its use in the design of the BLOODHOUND project has also contributed to significant public engagement in science and engineering, including a large-scale education programme with which over 5,000 schools have fully engaged.
In public perception, antimatter used to be associated with science fiction, but the creation and trapping of antihydrogen at CERN by the ATHENA and ALPHA Collaborations has sparked world-wide media interest in the real science of antimatter. Building on this, we started a campaign of public dissemination and education to promote and explain our work through media interviews, popular articles, and public lectures including a Welsh language component. We developed software simulators that have been used by school pupils in Masterclasses to re- create virtually CERN's antihydrogen production. YouTube clips and webcasts with over 100,000 hits have been produced and we have hosted thousands of visitors per year in CERN. These activities resulted in improved understanding of antimatter among school students and the wider population, and a radical change in the public perception of antimatter, which is now associated with the experiments at CERN rather than with Star Trek.
As a result of collaborative commissioned research, the lead developers of a major atmospheric research and operational weather forecasting model have changed their approach to quality assuring model source code. Drawing directly on the research findings, the lead developer has taken the decision to adopt a new approach to the correction of inconsistencies and inefficiencies in source code and to alter the software build procedure to be followed by a large model development community. An additional impact, in the form of improved business competiveness, is felt by a British software and consultancy company, which has been able to enhance a key tool used in their quality assurance and platform migration work with a global client base.
Research at Swansea University in the area of computational electromagnetics has led to better design of aircraft with respect to radar detection and the screening of internal systems from the effect of unwanted electromagnetic field ingress. A key issue was the development of an ability to accommodate electromagnetically large complex bodies having spatially small, but electromagnetically important, features. In addition, procedures for modelling RF threats, including lightning strikes and electromagnetic hazards, were also developed. Such progress has enabled significant improvement in electromagnetic performance of technology produced by BAE Systems reaching across its Advanced Technology Centre and its business units (Military Aircraft and Information, and Naval Ships). This research enabled two-orders-of-magnitude improvement in efficiency of BAE software compared to previously used techniques, significantly reducing design time. These developments were used on major international programmes such as TYPHOON, the Taranis UCAV (unmanned Combat Air Vehicle).
The impact of the research is evident in two areas of software engineering practice connected through software fault-proneness: (i) improper use of `design patterns', recognised reusable templates for how to design code; and (ii) the real benefits of `refactoring', a technique whereby code is intentionally changed by a developer to improve its efficiency and/or make it easier to read. Application of the research findings has led to significant impacts on software development at BancTec Ltd., a medium-sized, international IT company which, as a result, has changed its practices, challenging established approaches in industrial IT. The research has had, and continues to have, direct and sustained impact at BancTec through changed commercial practice and raised awareness of internal standards; this has led to increased training of developers and rollout of new internal software development standards in the UK and India, and as a template world-wide for 2,000 employees in 50 countries.
A computer program, CASTEP, has been developed to use quantum mechanics to calculate the structure and properties of materials. The code is distributed commercially via Accelrys Inc. with sales, for example, in the automotive, electronics and pharmaceutical industries in excess of £1m per year since 1998, accelerating to over £2.5m per year recently and total sales (late 2012) exceeding $30m. Commercial applications include designing new battery materials and electrodes to improve the performance of electric cars (Toyota), integrating organic electronic materials for light-weight flexible displays (Sony), and developing new catalysts for hydrogen-powered fuel cells (Johnson-Matthey).
Durham researcher, Prof Stewart Clark, is one of the six original co-developers of the Castep software package which calculates the electronic, physical and chemical properties of materials from first principles. Castep was written to solve a variety of research problems from semiconductor devices and liquid crystal displays, to the behaviour of Earth minerals under very high pressure, molecular dynamics and biological systems. The software package was commercialised for use in industry under license by Accelrys Inc., where it is bought and used by ~1000 high-tech companies for development of new materials in chemical, pharmaceutical, auto and jet engine manufacturing industries. Total sales revenue for Accelerys from the Castep code is in excess of $30M.