Designing new radiation hard MAX phase coatings by understanding irradiation damage at the atomic scale

Lead Research Organisation: University of Manchester
Department Name: Materials

Abstract

MAX Phases consist of alternating atomic layers of ceramic and metals. These have the chemical formula Mn+1AXn, where M is an early transition metal, A is an element from the IIIA or IVA groups, X is carbon or nitrogen, and n = 1, 2, or 3. Due to their unique crystal structure, MAX phases combine many attractive properties of both ceramics and metals. These properties include high temperature stability, high stiffness, good electrical and thermal conductivity, fracture toughness, thermal shock resistance, and machinability. These materials have great promise as radiation hard materials which could form protective coatings needed to enable Fusion to be realized on a large scale.
The resistance of MAX phases to fusion reactor-like temperatures and radiation levels has not been explored in depth until now - much more information is required to understand the effect of different elemental compositions and dose rates. I will be utilising a range of high resolution equipment to understand radiation damage mechanisms in MAX phases with different compositions. I will explore the atomic structure of these layered materials in their pristine state and as a function of irradiation damage and damage temperature. This will be used to generate a better understanding of structure-property relationships and to optimize future materials with the goal of creating a truly radiation hard coating.

Planned Impact

Identifying a solution to the energy problem is crucial to the UK economy and quality of life. In the near term a range of renewable options must be developed, eg wind and solar, but it is unlikely that these will provide the base-load supply required. Nuclear is an option for a carbon-free base-load and, in particular, fusion energy is safe and relatively clean. If it can be achieved, fusion would bring the largest economic benefits to those countries that lead the way to build the first fusion power plants, but ultimately most people in the world will benefit from fusion in some way.
ITER, the largest international science project on Earth, will operate from 2020 to answer the final physics questions and most technology questions required to construct the first demonstration magnetic fusion energy (MFE) power plant, DEMO. We will train the ITER generation of UK fusion scientists who will have the expertise to win time on this key facility against international competition. This is crucial to build experience that will feed into the design of DEMO, ensuring the UK remains at the forefront. EU design studies for DEMO are already under way, with manufacture of prototype components likely to follow soon. There are a number of beneficiaries from this training: (1) it will benefit Culham Centre for Fusion Energy (CCFE), providing well-trained new staff to replace those retiring, keeping the UK at the forefront of fusion energy research, competitive for ITER time and leading elements of DEMO design/prototype development; (2) it will provide expertise for the growing UK industry involvement in fusion, helping to win contracts for ITER and DEMO prototype components; (3) it will ensure the UK has a cadre of fusion experts to advise Government on future directions. We expect to train 60 students in MFE, approximately balanced across plasmas, materials (relevant for IFE also, see below) and related fusion technologies.
For inertial fusion energy (IFE), NIF in the US is the most advanced device in the world, and some expected it would achieve fusion conditions, i.e. ignition. In its 2012 ignition experiments, this did not happen, but the reason why is still uncertain. The immediate need is to understand this, which requires experts to win time on international facilities (including NIF), understand why ignition did not occur and so develop a roadmap to IFE based on the new knowledge. This will benefit the UK Government by providing experts to advise on an appropriate strategy, able to compare the relative merits of IFE and MFE because of our training across both areas. If IFE proves viable, then it will need to integrate fusion technologies in a similar way to ITER and DEMO, bringing benefits to industry. We expect to train 15 students in high energy density physics (HEDP), spanning IFE and lab astrophysics; the MFE materials students' expertise is also relevant for IFE reactor design.
Expertise in HEDP is required by AWE for its science-based approach to underpinning the UK's nuclear deterrent, and is a key element of the UK's strategy to comply with the Test Ban Treaty. The new Orion laser facility at AWE can replicate the conditions in a nuclear warhead, enabling advanced computer codes to be tested. Our students will have the expertise to work with Orion, which requires skilled scientists as it establishes its programme. Also the materials and computational scientists amongst the ~60 MFE students will be of value to AWE.
We will train students in the cooler exhaust plasma of a tokamak. Similar plasma conditions are used in manufacturing industries (coatings, computer chips, etc) so we will develop a skill base that will benefit a number of such companies. Materials research for fusion is also relevant for fission. The popularity of fusion amongst students is a good way to bring outstanding students into the field, providing expertise that benefits the growing nuclear industries and supporting the Government's nuclear policy.

Publications

10 25 50
 
Description New MAX phase ceramics - a type of metal/ceramic hybrid - have been designed using computational methods, synthesised using a powder sintering method, and characterised using high-resolution imaging and diffraction techniques. These materials have been designed specifically using 'low-activation' elements where possible, to reduce the chance of them becoming dangerously radioactive in a future nuclear (or other extreme) environment.
Exploitation Route Others may design, tune or otherwise implement the new materials developed in this research, through further analysis, testing and characterisation, leading to studies on possible applications in industry.
Sectors Energy

 
Description Design of new MAX phase ceramics with density functional theory 
Organisation Bangor University
Country United Kingdom 
Sector Academic/University 
PI Contribution I performed total energy calculations of a variety of new MAX phase ceramic unit cells using density functional theory, as implemented in the Vienna Ab-initio Simulation Package (VASP). The results of this work add to the current understanding of MAX phases, some of which have been proposed and studied for application in future nuclear environments. The collaborators will be named as authors in published works which use the results in question.
Collaborator Contribution The collaborators provided 1-to-1 training and guidance on the operation and application of VASP for the project requirements, including temporary use of a VASP licence and temporary access to the Welsh supercomputer - Super Computing Wales.
Impact New MAX phase ceramics have been designed using computational methods as implemented in VASP. This guided synthesis investigations during a subsequent collaboration (with a different partner), leading to the powder sintering synthesis and characterisation via high-resolution imaging and diffraction techniques of several novel MAX phases, using low activation elements for potential use in nuclear environments.
Start Year 2019
 
Description Synthesis and bulk characterisation of new MAX phases and MXenes 
Organisation Drexel University
Department Department of Mechanical Engineering and Mechanics
Country United States 
Sector Academic/University 
PI Contribution I synthesised several new MAX phase ceramics, using low activation elements, and performed bulk x-ray diffraction and scanning electron microscopy (imaging and energy dispersive x-ray spectroscopy) characterisations of the samples.
Collaborator Contribution The collaborator provided access to the Drexel Materials and Engineering powder processing laboratories, training on equipment for powder processing, pressureless sintering, vacuum hot-pressing, etching, sample preparation, bulk characterisation and data analysis, as well as guidance on experimental methods and research directions. Additionally, etching of select samples was performed to synthesise new MXenes. The collaborator also provided raw materials, consumables and relevant software access for experiments and analysis.
Impact New MAX phase ceramics have been synthesised using a powder sintering method, and characterised using high-resolution imaging and diffraction techniques both during a placement at Drexel and during subsequent follow-up work at the University of Manchester. The results of this collaboration will be published as open access.
Start Year 2019
 
Description A Glass of Seawater Podcast 
Form Of Engagement Activity A broadcast e.g. TV/radio/film/podcast (other than news/press)
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Media (as a channel to the public)
Results and Impact 'A Glass of Seawater' is a podcast recorded and published by PhD students on the EPSRC Fusion CDT programme. I was a guest speaker on a podcast episode focussed on materials science for nuclear fusion environments, recorded at the University of Manchester. The podcast is shared on social media, such as facebook, as well as on the Fusion CDT website, both of which are openly accessible to members of the wider public. The materials episode prompted questions from various listeners interested in nuclear fusion. Feedback from listeners, from around the country, has been positive and interest in nuclear fusion technology has increased since the launch of the podcast.
Year(s) Of Engagement Activity 2019
URL http://fusion-cdt.ac.uk/outreach/aglassofseawater/
 
Description Nuclear Masterclass (York) 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Schools
Results and Impact The Nuclear Masterclass is an annual event hosted and organised by the University of York Physics department outreach team, from Monday 22 June until Friday 31 July 2020.

It is a four week programme, suitable for pupils studying Physics from years 11 through to 13, offering pupils 3 - 5 hours of content per week. The programme consists of live webinars with leading experts and Q&A webinars throughout the week supported by students.

The Fusion CDT mainly supported week 3 - 'Fusion on Earth' week. The programme was developed as a joint activity between York, Oxford and Manchester Fusion CDT staff and students.

The event was very successful with 1000 pupils registering for the programme and approximately 500 people tuning into the Fusion CDT webinars.
Year(s) Of Engagement Activity 2020
URL https://www.york.ac.uk/physics/public-and-schools/secondary/nuclear-masterclass/
 
Description School Visit (Bradford) 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Schools
Results and Impact Around 60 pupils attended a series of workshops and presentations put on by the outreach team for the Fusion CDT, including a materials testing workshop, interactive nuclear fusion presentation and question/answer session. The event prompted questions and discussion during and afterwards and the school reported increased engagement, concentration and interest in Physics, as well as calls for future events.
Year(s) Of Engagement Activity 2019
 
Description Sun Late Event - Manchester Science & Industry Museum 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Public/other audiences
Results and Impact The Fusion CDT ran a stand at the 'Sun Late Event' at the Science and Industry Museum in central Manchester. Over 100 members of the public attended the event, with the majority of them visiting the Fusion stand where we talked about our research, nuclear fusion and the future for energy. Feedback was positive and many discussions took place during the event. Several members even said they had changed their mind about nuclear energy.
Year(s) Of Engagement Activity 2019