Results and submissions : REF 2021

ARTEMIS: Innovation through advanced modelling of material interfaces.

Submitting institution: University of Exeter
Unit of assessment: 9 - Physics
Summary impact type: Technological
Is this case study continued from a case study submitted in 2014?: No

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1. Summary of the impact

ARTEMIS is a unique theoretical framework and simulation tool developed at the University of Exeter to explore material interfaces at the atomic scale. ARTEMIS has been adopted by research-intensive SMEs in aspects of next-generation energy systems and storage, to focus their R&D activities, stimulating growth by attracting additional investment and accelerating product development. This has helped to strengthen the UK’s technology base in areas such as energy storage and battery technology and has generated over £6.6M in savings and additional investment. For example, Deregallera, an SME based in South Wales, has used ARTEMIS to identify the most promising areas for development, helping it to secure additional investment of at least £4M, make cost savings of £2M and establishing itself as a key partner in the UK’s Faraday Battery Challenge.

2. Underpinning research

Interfaces, where two different materials meet, exist in practically all devices. These interfaces often determine the behaviour and efficiency of the device itself. They can, for example, affect how electrical or thermal current flows, or how a battery stores energy.

Born out of condensed matter research at the University of Exeter, we have developed an atomic scale interface modelling package, ARTEMIS [3.1]. ARTEMIS is an interface builder which enables the user to predict the most likely structure and properties of an interface between materials. It does this by examining thousands of likely interface structures, characterising them using an energy landscape package (such as DFT) and then evaluating which is “best” according to chosen criteria. ARTEMIS is designed to be almost entirely automated, allowing users with limited computational physics expertise to predict and optimise complex surface structures. It is also the first unified approach to interface prediction and optimisation, incorporating several unique features. For example, it considers all possible terminations of a surface and lattice matching to provide the most likely unit cell structure at the interface between materials. It can also take into account intermixing, allowing analysis of complex, non-uniform interfaces. Finally, it can make a series of predictions regarding the likely physical properties of an interface, and even optimise structures guided by these.

ARTEMIS is designed to interact with several other atomic scale calculation approaches, such as first principle techniques, so that the range of physical properties that ARTEMIS is able to predict is vast. These include: modelling of atomic interfaces in electronic devices [3.2], identifying new phases which form at the interface [3.2; 3.3], predicting heat flow through atomic interfaces [3.4], understanding reaction pathways in batteries [3.5] and understanding atomically thin or two-dimensional materials [3.6].

The ARTEMIS theoretical framework was first implemented as a software package in 2016. It was initially used to explore the interface between silicon and barium titanate where there is a reaction which leads to the formation of the Fresnoite phase [3.3]. Since then it has been used and extended collaboratively with various companies, mainly SMEs developing devices, to tackle some challenging technical issues. Whilst the majority of the work is covered by NDAs, the core principles are highlighted by the following examples:

(i) Capacitive Energy Storage: In collaboration with Deregallera, exploring the development of capacitor-based devices for energy storage, the capabilities of ARTEMIS were expanded to examine the colossal permittivity materials being used. These materials contain many internal interfaces (called grain boundaries); ARTEMIS helped to explain the observed phenomena [3.4].

(ii) Batteries: Batteries often consist of layered materials. In addition, surface effects are a significant factor in capacity. A key issue in the development of improved battery storage is the interface problems arising from the movement of ions between the layers or onto the surface during operation. Using ARTEMIS, we have been exploring the potential properties of Sn₃N₄ surfaces [3.5] and 2D materials [3.6], providing preliminary data to Deregallera and to other companies for new potential battery technologies.

(iii) Solar Cells: ARTEMIS was also developed to model solar cells, and explore how the interface between the active layer and the electrical contacts (via the Schottky barrier effect) can influence the efficiency of the device (this included collaboration with Solaris on the devices it was developing).

(iv) Memory devices and thermoelectric devices: ARTEMIS has also been applied to model novel devices based on silicon oxide interfaces.

These developments have culminated (in 2019) in an academic release [3.1] of the ARTEMIS software package ( http://www.artemis-materials.co.uk/), making it freely available to academic and industrial researchers.

4. Details of the impact

Research intensive SMEs are key to regional and national economic development. The transformative nature of the high technology products being developed by these SMEs affords significant potential for economic growth particularly in key areas identified by the UK government such as clean growth, energy storage and battery technologies. Over the last five years ARTEMIS has been successfully established as a powerful predictive tool that has helped SMEs (key partner Deregallera and others including Solaris Photonics, Lambda Energy, Anaphite) strengthen the UK’s technology base in these important areas.

Adoption of ARTEMIS by Deragallera: Deregallera is an SME developing materials for energy storage and conversion, including a hybrid energy storage system to extend the life of an electric vehicle battery by 50%. The company is a key partner in the UK’s Faraday Battery Challenge, a £274M government investment into battery technology through the Industrial Strategy. In 2016 the company began the development of capacitors for energy storage. ARTEMIS modelling allowed them to improve the manufacturing process to maximise the performance of their prototypes (by avoiding the production of a Fresnoite phase at the interface **[3.3]**). This information allowed the company to “boost their funding to £3M” [5.1] through MOD investment.

Accelerating product development: Subsequent collaborative projects with Deragallera in 2017 and 2018 modelled the interfaces of the CCTO polycrystalline material, to explore further their application in capacitors for energy storage. ARTEMIS modelling helped the company to identify the limitations at an early stage [3.4] and to focus instead on battery technology with “the net saving to the business we estimate to be of the order of £2M.” [5.2].

ARTEMIS’s predictions for capacitive energy storage led Deragallera to a new area of energy storage using batteries, and has been used to simulate novel battery designs [3.5]. The head of Deragallera’s materials department, Dr. Peter Curran stated [5.3] “ *[Dr Hepplestone’s] study of Na interactions with nanoparticle surfaces (creating an interface)…helped define the technical barriers to commercial realisation of our battery material. This directly led to…an Innovate UK Award of £958K.*” In addition, predictions from ARTEMIS also suggested a further novel Na battery design based on 2D materials [6] which “provided us with preliminary data for a new battery design, which was the subject of an Innovate UK award of £437K (IUK App#28977)” [5.3].

Other divisions within Deregallera are also utilising ARTEMIS to support their technology, such as in the development of memory devices based on oxides with silicon, where a reaction creating a new material at the interface [3.3] would have prevented the resulting device from working. ARTEMIS predicted this effect, “effectively saving the company £200K” [5.3]. The novel work based on interface design also led to a joint patent for thermoelectric devices [5.3].

Stimulating growth: The collaboration with Deregallera, centred on ARTEMIS, has helped the company to focus and strengthen its technology development programme, establishing itself as a key UK player in this space, securing additional investment (including £3M from the MOD and over £1M from the Faraday Battery Challenge), growing staff numbers from 10 to over 20 and creating jobs in an economically deprived area of South Wales [5.4]. Deregallera has recently won a share of the Welsh Government’s EU-funded £63.4M SMART Cymru programme that will enable it to commission a pilot production line, the first step in moving from lab-scale materials discovery to commercial-scale battery manufacture.

Beyond Deregalla, ARTEMIS has enhanced the activity of several other SMEs in the area of next generation energy systems. For example, ARTEMIS was used by Solaris Photonics to find the appropriate contacts for an unusual solar cell design [3.5] which “ saved the project” [5.5] and allowed the company to go to investors with a working design for their device. Lambda Energy is an R&D start-up that develops spectral converters for boosting the power output of solar panels. The company used ARTEMIS to simulate the interfaces between quantum dots (made from oxide perovskites) and the embedding medium, solving an issue which prevented the quantum dots from functioning [3.3], allowing them “to secure external funding of £50,000” from investors and to move forward with the development of spectral converters [5.6]. Finally, ARTEMIS is having direct impact with Anaphite who are using it to explore new battery materials. Here, ARTEMIS is being used to design novel multilayer battery materials [3.5; 3.6]. As such, the founders of Anaphite have said that ARTEMIS is “vital to our future success” [5.7].

Summary statement: The University of Exeter has developed ARTEMIS, a unique theoretical framework and simulation tool developed to explore material interfaces at the atomic scale. Working with several UK based SMEs, ARTEMIS has been applied to solve problems found during the development of next-generation energy systems and storage. The results have focussed R&D activities, attracted additional investment and improved development success. This work has strengthened the UK’s technology base in key areas such as energy storage and battery technology, with a financial impact of >£6M garnered through investment and savings to our partner SMEs.

Table 1: Financial impact summary

Company	Application	Impact source	Amount
Deregallera	Capacitive energy storage	Additional funding	£3,000,000
Deregallera	Capacitive energy storage	Cost saving	£2,000,000
Deregallera	Batteries	Additional funding	£958,000
Deregallera	Batteries	Additional funding	£437,000
Deregallera	Memory devices	Cost saving	£200,000
Lambda Energy	Solar cells	Additional funding	£50,000
		Total	£6,645,000

Banning microplastics: Label-free imaging provides key evidence of accumulation of ...

Submitting institution: University of Exeter
Unit of assessment: 9 - Physics
Summary impact type: Environmental
Is this case study continued from a case study submitted in 2014?: No

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1. Summary of the impact

Until recently, virtually nothing was known of the fate and potential harm that manufactured microplastics posed on the marine environment. Images acquired using novel microscopy techniques developed by the Moger Group provided unequivocal evidence of the ingestion and accumulation of microplastics in marine organisms. The visual impact of these images played a key role in influencing government policy changes in the UK to ban the use of microplastics in cosmetics and personal care products. These changes spread across the world, resulting in policy changes in Europe, US, Canada, UN and the G7 group. In the UK alone policy changes have led to an annual reduction of some 4000 tonnes of plastic entering marine systems, improving the health of marine organisms and their environments.

2. Underpinning research

Identifying plastic at the microscopic level in living organisms is not straightforward. While conventional light microscopy can be used to visualise particles ingested by marine organisms, it cannot distinguish man-made compounds, such as plastics, from food and other naturally occurring particulates. Fluorescence microscopy is routinely applied to derive chemical specificity based on the attachment of extrinsic fluorescent labels to molecular species of interest. However, this cannot be applied to samples from the environment since they are, by their very nature, unlabelled.

Since 2007, Moger’s research has focused on the development and application of nonlinear optical microscopy, which compared to conventional (linear) techniques offers significant advantages for biological applications. The near-IR excitation extends the depth penetration into tissues with minimal photodamage, and the nonlinear signal dependence provides intrinsic 3D optical sectioning. More importantly, with techniques such as coherent Raman scattering (CRS), which utilize the intrinsic nonlinear optical responses of selected molecules, it is possible to derive label-free biochemical contrast in living systems. In particular, Moger has world-leading expertise in applying these techniques to track unlabelled nano- and micro- particles in tissues at the cellular level. This capability has proven vital in many important areas, including the detection and imaging of semiconductor particles, nanomedicines [3.1; 3.2], nanotherapeutics, and microplastics [3.3 - 3.6].

For the impact discussed here, a key development by the Moger Group was the ability, for the first time, to unequivocally detect the presence of microplastics in marine organisms. This was based on the intrinsic chemical signatures of the polymers from which the particles were composed and represented a step change in analytical capability. Between 2013-2017, research was undertaken to apply CRS to detect and visualise the uptake and accumulation of microplastics in a range of marine organisms. CRS was applied to show that microplastics are ingested by, and impact upon, common species of zooplankton found in the northeast Atlantic [3.4]. The Group’s findings showed that zooplankton had the capacity to ingest microplastic particles, with uptake varying by life-stage and particle-size. They also observed microplastics adhered to the external carapace and appendages of exposed zooplankton. Figure 1 below shows an example image demonstrating the accumulation of microplastics in the digestive tract of a copepod ( temora longicornis). The image is constructed from the projection of 3D data sets acquired using the non-linear optical molecular responses of microplastics (red) and the surrounding biological tissues (grey).

Figure 1: CRS microscopy image showing accumulated microplastics (shown in red) in the digestive tract of a copepod (shown in grey). Adapted from [3.4].

Moger later found that the shore crabs (c arcinus maenas) uptake microplastics through ingestion of pre-exposed food (i.e. mussels, Mytilus edulis) and through inspiration across the gills [3.5]. Images showed that ingested particles were retained within the body tissues of the crabs for up to two weeks following ingestion and up to three weeks following inspiration across the gill. Particles were seen to be retained in the foregut and on the gill surface. These were the first results to identify a possible route of uptake and retention of microplastics other than trophic transfer into a common coastal species. Later, Moger’s images revealed the distribution of particles across the gill surface and showed that plastic particles inhaled into the gill chamber had a significant effect on respiration, illustrating the extent of the physiological effects of microplastics compared to naturally occurring particles [3.6].

The Group’s findings implied that the accumulation of particles has a significant affect on the food chain. These results provided key evidence of the potentially harmful affects of microplastics on the marine environment and formed the basis of the scientific case that led to their ban.

4. Details of the impact

Plastics are being disposed of at an unprecedented rate. However, much of the plastic we create is hidden: for example, in 2013, a typical exfoliating shower gel was found to contain roughly as much microplastic in the cosmetic formulation as was used to make the plastic packaging it comes in [5.8]. However, these hidden plastics do not degrade, and when used in cosmetics, easily find their way into marine environments. It has been estimated that microplastics present in our oceans are costing approximately $13Bn per year in environmental damage [5.8], and bring unknown damage to our marine ecosystems.

Detecting the presence of microplastics: It is very difficult to accurately determine the total amount and true effect of microplastic particles in the environment, as they can be hard to detect. Work by a cross-disciplinary team at Exeter made a crucial contribution to our understanding of the impact of microplastics on the world’s oceans and their potential to cause wide-spread ecological damage. The research has supported the campaigns of numerous non-profit organizations and stimulated huge public interest internationally. It has provided instrumental evidence for government policy changes resulting in a legal UK ban of microbeads in cosmetics and personal care products; and changes to European, North American and UN global policies. Throughout, the label-free microscopy techniques developed by Moger provided the key evidence of the ingestion and accumulation of microplastics in marine organisms, and the visual impact of the images played a vital role in influencing policy change.

Influencing policy changes in the UK: The team’s research findings supported a successful effort on behalf of NERC, various academic institutions and non-profit organisations to include microplastics in a UK House of Commons Science and Technology Committee inquiry into water quality. Parliamentarians were informed about the negative effects of microplastics, with the team’s research cited in the Government Parliamentary Office of Science and Technology (POST) notes on Trends in the Environment in 2015 [5.1] and Marine Microplastic Pollution in 2016 [5.2], both citing papers with images taken by the Moger Group [3.4-3.6]. In June 2016, Exeter’s research was presented, including images from the Moger group, to an Environmental Audit Committee hearing on Microbeads in the Marine Environment at the Houses of Parliament. The submission influenced a change in legislation to outlaw microscopic plastics from being added to consumer products, which was announced following the enquiry in August 2016 and came into force in January 2018.

Moger’s work, verifying the presence of microplastics in marine organisms, played a crucial role in bringing about these changes to environmental policy and practice. The Chair of the Environmental Audit Committee specifically noted the contribution of the label-free images towards the case for the environmental impact of microplastics, commenting that “ the provocative nature of these striking images made a particular impact as evidence of uptake into the food chain” [5.6].

Influencing international policy changes: The Exeter team’s research evidence has also had significant influence on policy decisions beyond the UK. In Canada, a report published by the Canadian Environment Agency ‘ Microbeads – a Science Summary’ references papers by the team and recommends that, based on the available information, “microbeads be considered toxic under subsection 64(a) of the Environmental Protection Act 1999” [5.3]. In the US, the Microbead-Free Waters Act (2015) was informed by NOAA reports [5.7] produced as part of their Marine Debris Program which referenced papers with images taken by the Moger Group [3.4]. In 2019 and 2020 the European Chemicals Agency Committee for Socio-economic Analysis (SEAC) released reports [5.10], again citing papers with images from the Moger Group [3.4], which proposed restrictions on intentionally-added microplastics as an appropriate EU-wide measure.

Political action on microbeads has now expanded worldwide, with the United Nations supporting resolutions to drastically reduce plastic pollution. Moger’s work again played a key role: In June 2016 results were presented, including images produced by Moger, to the United Nations Consultation on the Laws of the Oceans, held in New York. Evidence was then presented to the UN General Assembly on 13 September 2016 which contained four references to oral evidence provided by the Exeter team. Finally, in December 2017, more than 200 nations represented at the United Nations Environment Assembly resolved to eliminate marine plastic pollution. Parallel to this, the G7 pledged to reduce uncontrolled disposal of waste plastics as one of its strategic development goals, which aims to reduce marine debris and microplastics by encouraging improvements to legislation, waste management and social education.

The UN resolution referenced the UN Environment Programme (UNEP) report ‘ Marine plastic debris and microplastics - Global lessons and research to inspire action and guide policy change’ [5.8], which itself directly referenced publications from the Moger group [3.5]. As a result of Moger’s pioneering work, CRS microscopy is now viewed as a benchmark for analysing the effects of plastic pollutants in biological systems. In the UN Environment Programme GESAMP (Group of Experts on the Scientific Aspects of Marine Environmental Policy) advice documents, Moger’s research approach was specifically cited as a precedent for how to accurately measure marine microplastics [5.4; 5.5].

Summary statement: The Moger group has developed and used novel microscopy approaches which are capable, for the first time, of quantifying the take-up of plastic pollutants in real biological systems. The striking visual impact of the images played a key role in generating pivotal policy changes banning microplastics in cosmetics and personal care products in the UK, Europe, and across the world. At the time of submission to REF 2021, the governments of 15 major developed countries have banned (or committed to banning) the use microplastics in cosmetics, and many of the world’s largest cosmetics brands have pledged to remove microplastics from their products, including Unilever, L’Oréal, Colgate-Palmolive, Beiersdorf, Procter & Gamble, and Johnson & Johnson [5.9]. The UK ban alone has resulted in an estimated reduction of 4,000 tonnes per year of microplastics entering our oceans [5.2], improving the health of marine organisms and benefiting their environments.

5. Sources to corroborate the impact

5.1 Government Parliamentary Office of Science and Technology (POST) notes on Trends in the Environment in 2015.

5.2 Government Parliamentary Office of Science and Technology (POST) notes on Marine Microplastic Pollution in 2016.

5.3 Canadian Environment Agency ‘ Microbeads – a Science Summary’Available at https://web.archive.org/web/20200930213150/http://www.publications.gc.ca/site/fra/9.811686/publication.html

5.4 GESAMP (2015). “Sources, fate and effects of microplastics in the marine environment: a global assessment” (Kershaw, P. J., ed.). (IMO/FAO/UNESCO-IOC/UNIDO/WMO/IAEA/UN/UNEP/UNDP Joint Group of Experts on the Scientific Aspects of Marine Environmental Protection). Rep. Stud. GESAMP No. 90, 96 p.

5.5 GESAMP (2016). “Sources, fate and effects of microplastics in the marine environment: part two of a global assessment” (Kershaw, P.J., and Rochman, C.M., eds). (IMO/FAO/UNESCO-IOC/UNIDO/WMO/IAEA/UN/ UNEP/UNDP Joint Group of Experts on the Scientific Aspects of Marine Environmental Protection). Rep. Stud. GESAMP No. 93, 220 p.

5.6 Letter of support from The Chair of the Environmental Audit Committee.

5.7 Report prepared for the National Oceanic and Atmospheric Administration’s (NOAA) Marine Debris Program: ‘ Quantification of Microplastics on National Park Beaches’.

5.8 United Nations Environment Programme (2016). “Marine plastic debris and microplastics - Global lessons and research to inspire action and guide policy change”.

5.9 Beat the Microbead campaign: https://web.archive.org/web/20210101093739/https://www.beatthemicrobead.org/

5.10 European Chemicals Agency (ECHA) Committee for Risk Assessment (RAC) and the Committee for Socio-economic Analysis (SEAC) commissioned report proposing restrictions on intentionally added microplastics (2019 and 2020).

Inspiring the next generation of STEM students through novel and immersive engag ...

Submitting institution: University of Exeter
Unit of assessment: 9 - Physics
Summary impact type: Societal
Is this case study continued from a case study submitted in 2014?: No

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1. Summary of the impact

Finding effective ways to communicate science, technology, engineering, mathematics and medicine (STEMM) research to the public and students in deprived areas can be challenging, but is critical for encouraging the uptake of STEMM studies and careers. Prof. Mayne, working with local SMEs, pioneered the use of virtual reality (VR) in the communication of cutting-edge exoplanet research, developing an innovative and immersive VR Exoplanet Tour [5.1]. This unique resource has reached a huge worldwide audience; attracting over 12 million views and over 5,000 comments, making it the most viewed science-based VR resource on the entire YouTube platform, while also winning a prestigious Lovie award.

Fig 1 Visualisation of the evaporating Wasp-121b captured from [5.1]

The VR Exoplanet Tour, has since been screened to over 18,000 people through international exhibitions and over 1,000 students across Devon and Cornwall. Feedback indicated that, in response to the VR Tour, 97% of students were inclined towards STEM based subjects, and >50% stated they were inspired to work in science or technology. We estimate that our work has positively influenced millions of people around the world towards STEM. The project has also supported our partners’ economic growth and success, increasing their turnover, staffing, external investment, products and business portfolios.

2. Underpinning research

The Astrophysics Group at the University of Exeter (UoE) is one of the largest groups in the UK studying stars and planets, with a wide-ranging research programme at the forefront of astrophysical observation and modelling. One of the main areas of expertise is in exoplanet research: finding and characterising planets orbiting distant stars. This research covers both observational studies using large-scale ground and space-based facilities, led by Prof. D. Sing and Prof. S. Hinkley, and state-of-the-art theoretical modelling aimed at understanding the potential climates of these distant worlds, led by Prof. N. Mayne, Dr E. Hèbrard and Prof. Hugo Lambert (Mathematics).

This impact case study focuses on science communication and public engagement activities designed to inform and inspire a wide range of audiences about the potential environments and climates of distant worlds underpinned by the group’s research findings. By combining theoretical models with the observational data, the group were able to determine quantities such as the temperature, pressure, composition and wind speeds in exoplanet atmospheres. These results, in turn, were then used to generate scientifically accurate simulated environments. Immersive virtual reality (VR) animations, the first of their kind, were created through extensive, iterative, design processes involving close communication between the researchers and visual effects programmers. As a specific example, a landmark study demonstrated the transition from clear, to cloudy, to hazy atmospheres for a subset of exoplanets termed hot Jupiters (Jovian planets in close orbit to their parent star) [3.1]. These observational data, combined with 3D numerical climate simulations of the planets [3.2, 3.3] provided the required insight to develop realistic scenes within the animation of the planets Wasp-121b and HD189733b (Osiris).

Observations and modelling of another class of exoplanets, young Jupiter like planets [3.4], was also used to develop the visualisation of the planet LkCa 15b. For terrestrial or Earth-like planets, sophisticated climate modelling performed at UoE provided the first insights into the potential water-based cloud cycle for potentially habitable exoplanets [3.5]. This research informed development of the scenes featuring Kepler-62e, 55 Cancri e and Trappist 1e. The individual animations were combined into a `VR Exoplanet Tour’.

Finally, and more recently, research exploring the impact of dust in the climate of potentially habitable exoplanets [3.6] has been converted into a format accessible to students. These resources were then incorporated into engagement sessions, performed online and in person.

3. References to the research

[3.1] Sing, DK, Fortney JJ, Nikolov N, Wakeford HR, Kataria T, Evans TM, Aigrain S, Ballester, GE, Burrows AS, Deming D, Désert J-M, Gibson NP, Henry GW, Huitson CM, Knutson HA, Lecavelier Des Etangs A, Pont F, Showman AP, Vidal-Madjar A, Williamson MH, Wilson PA. “A continuum from clear to cloudy hot-Jupiter exoplanets without primordial water depletion”. Nature, 529:59–62. (2016). DOI: 10.1038/nature16068

[3.2] Amundsen DS, Mayne NJ, Baraffe I, Manners J, Tremblin P, Drummond B, Smith C, Acreman DM, Homeier D. “The UK Met Office global circulation model with a sophisticated radiation scheme applied to the hot Jupiter HD 209458b”. Astronomy and Astrophysics, 595:A36. (2016) DOI: 10.1051/0004-6361/201629183

[3.3] Lines S, Mayne NJ, Boutle IA, Manners J, Lee, GKH, Helling CH, Drummond B, Amundsen DS, Goyal J, Acreman DM, Tremblin P, Kerslake M. “Simulating the cloudy atmospheres of HD 209458 b and HD 189733 b with the 3D Met Office Unified Model”. Astronomy and Astrophysics, 615:A97. (2018) DOI: 10.1051/0004-6361/201732278

[3.4] Hinkley S, Kraus AL, Ireland MJ, Cheetham A, Carpenter JM, Tuthill P, Lacour S, Evans TM, Haubois X. “Discovery of seven companions to intermediate-mass stars with extreme mass ratios in the Scorpius-Centaurus association”. Astrophysical Journal, 806:L9. (2015)

DOI: 10.1088/2041-8205/806/1/L9

[3.5] Boutle IA, Mayne NJ, Drummond B, Manners J, Jayesh G, Lambert FH, Acreman DM, Earnshaw PD. “Exploring the climate of Proxima Centauri B with the Met Office Unified Model”. Astronomy and Astrophysics, 601:A120. (2017) DOI: 10.1051/0004-6361/201630020

[3.6] Boutle IA, Joshi M, Lambert FH, Mayne NJ, Duncan L, Manners J, Ridgway R, Kohary K. “Mineral dust increases the habitability of terrestrial planets but confounds biomarker detection”. Nature Communications, 11, 2731 (2020). DOI: 10.1038/s41467-020-16543-8

4. Details of the impact

In 2014, as one of >50 engagement events delivered over the last 6 years by Prof. Mayne, the BBC’s annual astrophysics programme, ‘Stargazing Live!’, included a filmed segment on the research of the UoE’s Astrophysics group [3.1-3.3]. The programme reached 2.78M viewers and achieved the second highest unique website views for the entire BBC [5.2]. Executive Producer, Helen Thomas referred to Mayne’s involvement as “ *a good example of how complex and potentially difficult to understand science can be articulated for a wide audience.*” [5.2]. During the episode, a visualisation featuring exoplanet research outcomes, created by Prof. Mayne and Prof. Sing with BBC visual artist Dave Storr, was used. This visualisation inspired a local SME, Engine House VFX (EHVFX), to approach Prof. Mayne to form a collaboration aimed at developing new, innovative and inspiring, research-led media. Working with EHVFX and Bristol-based science communication centre, We The Curious (WTC), the UoE researchers created the first fully immersive VR experience of exoplanet environments. During production, the Astrophysics Group produced simulations of exoplanet climates and predicted realistic atmospheric conditions of exoplanets. These simulations were then recreated to be viewed during an immersive VR Exoplanet Tour.

**Enhancing global public understanding of STEMM and Exoplanets: Since its launch in 2017, the VR Exoplanet Tour has reached a colossal worldwide audience, attracting over 12 million views and more than 5,000 comments on YouTube since 2017 [5.1]. For context: the number of views is an order of magnitude greater than the entire online catalogue of WTC. It is easily the most viewed exoplanet related contribution, and the most viewed science-based VR resource on the entire YouTube platform [5.1]. The rate of views is sustained at >3.5 million views/year, compared to videos on comparable popular physics channels which typically achieve a few hundred thousand views/year **[5.3]. The final production was also used as part of a VR exhibit at the National Space Centre (NSC) [5.4] and screened to around 8,000 people at the WTC planetarium, while also generating a fourfold increase in subscriptions to the WTC’s YouTube channel [5.5]. Additionally, the VR animation was used as part of an exhibition in France (with alternative commentary), reaching a total of around 10,000 people [5.6]. The production went on to achieve further international recognition: in 2018, it won a Bronze award and the ‘People’s Choice Award’ in the ‘Internet Video’ category at the European creative industry Lovie Awards [5.7].

The impact this immersive experience has had on people is evident from the comments on YouTube. For example:

“When you learn more in a YouTube video than a whole school year…”

“It was like a trip to the planetarium. Love It. I'm an educator and I will definitely be including these VR videos in my classroom.“

“If science class were as awesome as this.”

**Videos on the US-based Minute Physics, the largest and most popular physics channel on YouTube, typically receive hundreds of thousands of views per year, while its most popular ever video averages 2 million views/year. For the UK based and highly acclaimed Sixty Symbols channel, the most viewed video ever receives an average of 240,000 views/year. Data from YouTube channel pages [5.3].*

Fig 2 Visualisation of Trappist-1 from the surface of Trappist-1e captured from [5.1]

Increasing student aspiration in STEMM studies and careers:* Building on the Astrophysics Group’s research and outreach, Prof. Mayne and Prof. Dillon set up the Exoplanet Outreach Programme in 2018. An investment in VR headsets has allowed students to view the VR animation as part of a wider engagement session. Due to the impact of COVID-19, these sessions have now moved online, enabled by the creation of an online exoplanet project. As of the REF submission date, this outreach programme has reached over 1,000 students across a network of schools in the Southwest, covering several regions with very low rates of progression to higher education and areas ranking high for `Indices of Multiple Deprivation’. In addition, we have adapted our Nature Communications article [3.6] for the “Science Journal for Kids”, providing an articulation of our research particularly aimed at school children. All of these resources can be accessed through Prof. Mayne’s group website [5.8]

Feedback questionnaires obtained from a sample of 378 students who participated in our outreach programme has allowed us to quantitatively assess the impact of our VR media on attitudes towards science. In short: our VR experiences have a very positive impact, with 97% of the students reporting that their feelings towards STEM based subjects had changed positively, and >50% stating they were inspired to work in a science or technology job in future [5.9].

Our outreach programme was also featured in a regional news broadcast (BBC Spotlight **[5.9]**), including interviews with staff and students at Pool Academy. Claire Meakin, Principal at Pool Academy stated: “ The students were captivated during the session, and since we have noticed an increase in their interest in science.” [5.9]. Meanwhile, Marcus Corrie, Science Teacher at Woodrofe School commented: "An excellent and engaging experience for our A level physicists, a perfect complement to their studies... linking real research to a tangible experience for the pupils, which fuelled enquiry and debate about the nature of these worlds…I strongly believe that it has inspired a number of our students to consider studying physics beyond GCSE.” [5.9]. This evidence gives an indication of the impact of the online immersive animation on science engagement. Combined with the global reach of our YouTube resources, our findings suggest millions of people around the world will view STEM subjects and STEM careers more positively.

Supporting economic growth and success: The development and use of the immersive VR in science communication has also had a significant and positive impact on our partner SMEs’ economic growth and stability. EHVFX’s Business Development Manager, Julia Le Gallo commented: “Involvement with this project created an opportunity for us to develop areas of our work not previously considered, and in turn to pioneer a new approach to CGI and 360 immersive environments”. She further stated that: “We have experienced an increase in enquiries from other companies - from the space sector especially. The Exoplanet Explorers project has been a great asset to apply to space-related content tenders, such as for Aerospace Cornwall, where we created eight short animations about the Cornish space and aerospace sectors. We are part of the Cornish space cluster as content providers in 2D, 3D and VR, which has led to further enquiries… We definitely learnt a lot from this project, and afterwards we find ourselves at the forefront of immersive content development in the UK.” [5.10]. Further, according to Julia Le Gallo, “Engine House has grown steadily thanks to our involvement on the Exoplanet Explorers project, with a turnover around £200K. We were also able to grow up to five people – two more staff added to the original team of three” [5.10]. Additionally, alongside the fourfold increase in subscribers to WTC’s YouTube channel, WTC also secured an STFC Public Engagement Spark Award to develop space-themed digital content, working with Prof. Mayne and members of the UoE Astrophysics group [5.5].

Building on our successful partnership, a second immersive VR experience has been created with EHVFX, which in 2020 entered final production stages. It adopts a more cinematic approach, with research outcomes presented in a less explicit way (i.e. a ‘stealth learning’ approach). This animation will also serve as an introduction to a pedagogical web-based game, funded by a recent STFC Nucleus award. The game is currently being co-developed with Fish in A Bottle (an award-winning digital agency), and a Young Persons Advisory Panel (YPAP). The co-development process itself has had a positive impact on the young people involved. Frances Britton – a student at the Exeter School of Mathematics, commented that “taking part in YPAP … left me with far more enthusiasm towards astrophysics” [5.11]. Once completed, the new VR resource and game will be released worldwide through WTC’s web platform, and will also feature in both UoE’s outreach programme and a mobile exhibit developed by the National Space Centre. The release of these new resources has been delayed due to the ongoing pandemic (target April 2021).

Summary statement: This impact case centres on the development of an entirely novel and unique VR resource that has changed the attitude of a wide audience towards careers in STEM. It demonstrates the power of connecting leading academic research with industry partners to develop new ways of communicating science to the public. Our immersive VR animation, which brings to life world-leading research into the climates of exoplanets, has reached millions of people worldwide and received a European award for creative content. In addition, through a focused programme of engagement events, students across the South West, a region with historically low uptake of higher education, have been inspired to engage with STEM-based research. Finally, our partner SMEs have benefited from the collaboration with academic researchers, raising their profiles, increasing their turnover and staffing, stimulating external investment, creating new products and considerably enhancing their business portfolios.

Reducing the requirement for rare earth metals in high performance magnets for Hybrid ...

Submitting institution: University of Exeter
Unit of assessment: 9 - Physics
Summary impact type: Technological
Is this case study continued from a case study submitted in 2014?: No

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1. Summary of the impact

A key challenge for manufacturers has been to reduce the requirements for rare earth metals such as neodymium, dysprosium and terbium in the magnets used in electric vehicles as they are expensive and difficult to obtain. Working collaboratively with Toyota and a range of other partners in the EU and Japan, Professor Hrkac’s group at the University of Exeter has played a crucial role in the development of magnetic materials which require significantly lower levels of rare earth metals. These materials have been employed in an estimated 6.5 million hybrid vehicles produced by Toyota since 2016, reducing consumption of rare earth elements by 450 tonnes, with associated reductions in environmental damage. In addition, the use of the new magnetic materials has contributed to efficiency gains compared to standard hybrid vehicles which have reduced carbon dioxide emissions from Toyota hybrid vehicles by 11 million tonnes worldwide since 2016. Professor Hrkac’s work also contributed to cost savings of $108M in production and maintenance costs for hybrid cars which enhanced job stability at Toyota and generated savings for consumers.

2. Underpinning research

Prof. Hrkac’s research group focuses on computational and theoretical magnetism; specifically, the development of models to investigate the complex interface effects on an atomistic scale in nano- and micro-scale materials. Magnetic materials are formed from grains with a distinct magnetic structure. For most applications it is the overall magnetic material properties which are important; these are determined by the interaction between grains, so interfaces and grain boundaries ultimately determine the useful magnetic properties such as the external magnetic field, magnetic flux and magnetic energy density.

Supported by a Royal Society University Research Fellowship (2009-2014), Prof. Hrkac developed ab initio simulations of atomic structures and solid-state molecular dynamics to model the behaviour of amorphous and crystalline grain boundaries in neodymium (NdFeB) magnets. In this early work it was shown that for Nd₂Fe₁₄B magnets, containing neodymium (Nd) but without rare earth element dysprosium (Dy), the coercivity was highly dependent upon local anisotropy profiles at grain boundaries [3.1, 3.2]. The significance of grain boundaries, highlighted by Prof Hrkac's work, was central to future magnet development. Further research highlighted the importance of Nd-oxides [3.3-3.5] and the potential for using structured magnetic materials [3.6].

One of the key challenges in designing high efficiency magnets for use in hybrid and electric vehicles is that they must be able to operate at high temperature, whilst maintaining or improving the efficiency of the electric motors they are used to drive. When neodymium magnets are used at high temperatures, such as in automotive applications, other rare earth elements such as dysprosium or terbium (Tb) are generally added to increase high-temperature coercivity. However, these are rare and expensive metals found in locations with high geopolitical risks. Because of this, considerable efforts have been made to develop magnets that do not use these metals. Although production volumes of neodymium are relatively high amongst rare earth metals, there are concerns that shortages will develop as electric vehicles become increasingly popular in the future. To overcome the issues regarding cost and availability of rare earth metals, Toyota established its Magnetic Materials for High-Efficiency Motors (MagHEM) project in 2012, with the aim of developing technologies that would initially eliminate the use of terbium and dysprosium, and in the longer-term reduce the amount of neodymium used, whilst maintaining the high levels of heat resistance and minimizing loss of coercivity.

As a result of his expertise, Prof. Hrkac played a leading role in the MagHEM project [5.1], providing all the interface materials modelling, with colleagues in Europe and Japan responsible for other elements such as fabrication and testing. The first phase of the research led to the development of magnets requiring very low levels of dysprosium/terbium, which were used by Toyota in its 4th generation Prius, released in December 2015 (Figure 1) [5.2].

Figure 1: Reduction of Tb/Dy from 3^rd generation to 4^th generation Prius. Figure adapted from [5.2].

The next phase of the work focused on reducing the neodymium content required, through the combination of three new technologies, all of which were dependent on Prof Hrkac’s modelling:

I. Magnetic grain refinement – high coercivity can be retained at high temperatures through the reduction of the size of the magnet grains to one-tenth or less of those found in conventional neodymium magnets and the enlargement of the grain boundary area. This is shown in Figure 2 [5.2], where the performance of the neodymium-reduced magnet (solid red line) is seen to out-perform the conventional neodymium magnet (black line, squares) at higher temperatures. Moreover, simply reducing the amount of neodymium, without changing the grain size significantly, reduces the magnet performance (black line, diamonds);

II. Two-layered high performance grain surface – neodymium can be used more efficiently by increasing its concentration on the surface of the magnet grains and decreasing the concentration in the grain core, which results in a reduction in the overall amount of neodymium required whilst maintaining high levels of coercivity;

(⁰C)

Figure 2: Variation in coercivity with temperature for four different magnetic materials. These are: conventional Nd magnetic material (black line, squares); 20% reduced Nd using magnetic grain refinement (red solid line, squares); 50% reduced Nd using magnetic grain refinement (red dashed line); Nd-reduced magnet without magnetic grain refinement (black line, diamonds). Adapted from [5.2].

III. A specific alloying ratio of lanthanum and cerium –** normally, alloying neodymium with lanthanum and cerium results in a significant decline in its key properties of heat resistance and coercivity. However, by evaluating a range of alloy ratios, Toyota identified a specific ratio at which the deterioration of properties was minimised.

This programme of research and development led to the production by Toyota in 2018 of the world’s first neodymium-reduced, heat resistant magnet, which uses no terbium or dysprosium (Figure 2). This new magnet has a wide range of potential applications in motors that require relatively high output; Toyota indicated that the magnets would be used in electric power steering motors for cars in the early 2020s, with plans for further development to enable their application in high performance electrified vehicle drive motors within the next 10 years (i.e. by 2028). [5.2]

4. Details of the impact

Electric vehicles are an important element in meeting global goals on climate change, with hybrid vehicles fulfilling a key role in the transition period whilst charging infrastructures are put in place. This was re-emphasised in February 2020 when the UK government announced a ban on petrol and diesel cars by 2030. In 2019, just over 5.4 million hybrid and electric cars were sold worldwide, with a total market value of ~$160Bn. The market value is forecast to increase to almost $540Bn by 2024 [5.3]. Toyota Motor Corporation is a leading manufacturer of hybrid electric cars. In 2019 over 99.9% of Toyota’s electric vehicle sales were hybrids [5.2]. In the same year, Toyota sold 1.9 million hybrid vehicles worldwide (35% of the total market) [5.2].

A key challenge for manufacturers has been to reduce the requirements for rare earth metals such as neodymium, dysprosium and terbium in the magnets used in electric vehicles, as they are expensive and difficult to obtain. As a key member of the MagHEM project, Prof Hrkac’s group at the University of Exeter has played a crucial role in the development of magnets which require significantly lower levels of rare earth metals, resulting in the major environmental and economic benefits detailed below and summarised in Figure 3.

Decreased environmental damage through reduced use of rare earth metals – reduction of 450 tonnes dysprosium since 2016: The mining of rare earth metals used in conventional hybrid motors negatively impacts the environment and surrounding communities, creating toxic waste and damaging the surrounding environment [5.9]. Furthermore, global supplies are limited, and demand is exceeding supply, with reserves expected to run out in the next five years. By using the newly developed low-dysprosium magnet in its 4^th generation Prius and other hybrid electric vehicles since 2016, Toyota has reduced consumption of dysprosium by an estimated 450 tonnes*, reducing the carbon footprint and the environmental damage associated with production of these vehicles. In the short term, this work has freed up the limited dysprosium supplies for use in other vital applications such as wind turbines. In the longer term, it has made a lasting difference by demonstrating that it is possible to use alternatives to the rare earth metals traditionally used in electric vehicles.

In addition, by bringing magnet production in-house during the joint development project, Toyota has been able to instigate a recall programme aimed at recycling electromotors and recovering rare earth materials to further limit environmental impact in the future [5.10].

* The estimated 450 tonnes saving is calculated from an 84% reduction (Figure 1) in dysprosium, i.e. from 83g per car [see Hoenderdaal, et al. (2013), Energy Vol. 49, Pages 344-355] to 13g per car. Scaling the saving by 6.5 million cars produced since 2016 gives the estimated figure.

Figure 3: Summary of impacts from new magnetic materials in hybrid cars.

Decreased CO₂ emissions due to increased fuel efficiency – 11 million tonnes less CO₂ since 2016: The use of newly developed magnetic materials contributed to reductions in the size of the motor (35%) leading to improvements in motor efficiency of 20% [5.4]. Together with other design refinements, this enabled Toyota to reduce CO₂ emissions in its 4^th generation Prius by 21% [5.2]. Assuming similar levels of efficiency savings on their other hybrid vehicles, this has led to estimated savings in carbon dioxide emissions of 11 million tonnes since 2016. This saving in CO₂ is equivalent to the average yearly emission associated with more than 1.8 million homes [5.5]. Efficiency savings from these new magnetic materials are also projected to be more significant in the future in applications such as robotics and fully electric cars [5.1].

Decreased production costs leading to increased confidence in the market, greater job stability at Toyota and savings for consumers:* The reduced use of rare earth metals results in significant reductions in production costs: for example, the decreased levels of dysprosium used since 2016 has resulted in estimated cost savings of $108M (estimated from the 450 tonnes saving, see above, and the $240/kg market value of dysprosium [5.6]). This will translate into cheaper access to electric vehicles for consumers as well as increased confidence for automotive manufacturers that they can acquire the resources needed for future production of electric vehicles. Furthermore, the newly developed magnets have improved durability, leading to reduced maintenance costs over the lifetime of the vehicle, another positive benefit for consumers. Toyota has benefitted in other ways as well: by moving the development and production of magnets in-house (Prof Hrkac has also worked closely with Toyota on this project and has trained Toyota engineers in simulation techniques); it has acquired intellectual property rights in this area [5.7]; and has security over future production. This has contributed to job stability and sustainability at the company.

Wider implications for neodymium reduced magnets: This case study has focused on the impacts that have been delivered to date by Toyota through the use of improved, low-dysprosium magnets in its hybrid and electric vehicles (Figure 2). However, in 2018 and as noted above, further development based on Prof Hrkac’s research has also led to the production by Toyota of the world’s first neodymium-reduced, heat resistant magnet, which uses no terbium or dysprosium (Figure 1). Toyota indicated that the magnets would be used in electric power steering for cars in the early 2020s, with plans for further development to enable their application in high performance electrified vehicle drive motors within the next 10 years (i.e. by 2028) [5.2]. In addition to applications in hybrid and electric vehicles, the magnets will have wider potential use in robots and other household appliances, a huge and growing market: the household robots market is expected to grow from $3.3Bn in 2019 to $9.1Bn by 2024 [5.8].

Summary statement: Working collaboratively with Toyota and a range of other partners in the EU and Japan, Prof Hrkac has played a crucial role in modelling and development of new magnetic materials which require significantly lower levels of rare earth metals. These novel materials have been employed in an estimated 6.5 million hybrid vehicles produced by Toyota since 2016. This has reduced the consumption of rare earth elements by 450 tonnes, with associated reductions in environmental damage, reduced CO₂ emissions from Toyota hybrid vehicles by 11 million tonnes and contributed to efficiency gains which have led to cost savings of $108M

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