Advanced Nuclear Materials Design: Computational and Experimental Investigations
Lead Research Organisation:
University of Huddersfield
Department Name: Chemical Sciences
Abstract
Nuclear power is a critical energy source to support UK society and economy as it accounts for 20% of UK electricity production. The development of safe nuclear technologies is of paramount importance and depends on the response of materials in the extreme environment of a reactor core. Here, neutron bombardment causes radiation damage which modifies the microstructure of materials and deteriorates their performance.
Combining high-performance computing (HPC) and the world-class Microscopes and Ion Accelerators for Materials Investigations (MIAMI) facilities at the University of Huddersfield, we will determine the response of non-oxide ceramics to radiation damage. This class of materials is of particular technological importance for future Generation IV nuclear fission reactors. These investigations will deliver atom-level insights into the structural modification of these materials under neutron bombardment. This combination of complementary modelling and experimental data will feed into the design of 3D nanostructures of non-oxide ceramics with greater resilience to radiation damage. Ultimately the goal is to inform the synthesis of advanced nuclear materials with the ability to recover from and accommodate radiation damage.
Combining high-performance computing (HPC) and the world-class Microscopes and Ion Accelerators for Materials Investigations (MIAMI) facilities at the University of Huddersfield, we will determine the response of non-oxide ceramics to radiation damage. This class of materials is of particular technological importance for future Generation IV nuclear fission reactors. These investigations will deliver atom-level insights into the structural modification of these materials under neutron bombardment. This combination of complementary modelling and experimental data will feed into the design of 3D nanostructures of non-oxide ceramics with greater resilience to radiation damage. Ultimately the goal is to inform the synthesis of advanced nuclear materials with the ability to recover from and accommodate radiation damage.
Organisations
Studentship Projects
| Project Reference | Relationship | Related To | Start | End | Student Name |
|---|---|---|---|---|---|
| EP/N50967X/1 | 01/10/2016 | 30/09/2021 | |||
| 1972014 | Studentship | EP/N50967X/1 | 01/10/2017 | 31/03/2021 | James Dawson |
| Description | Nanostructured materials have the potential to be radiation resistant materials and this project can inform their synthesis. Using a computational approach based on large scale molecular dynamics, we started mapping the relationship between radiation damage and interfaces within the nanostructured material. The embedding of nanoparticles into the bulk material, which appears as nanoinclusions has shown that the interface between nanoparticle and the bulk material is a sink of defects thus aiding the material's resistance to the damage process. When radiation damage occurs near the interface, defects can diffuse towards the interface in a way that does not appear to occur in the bulk material. However, when radiation damage occurs at the interface between the nanoparticle and bulk material, the shape of the nanoparticle can alter drastically; here the nanoparticle adsorbs the shock and converts into bulk materials with voids formation associated to the process. |
| Exploitation Route | A consistent computational procedure to map the relationship between interface morphology and the process of radiation damage will inform and could be implemented in a larger screening across nanostructured materials. This could be implemented in a large scale dataset of nanostructured materials like the UK based "Surface and Interface Toolkit for the Materials Chemistry Community". |
| Sectors | Energy,Environment |
| Description | Conference Presentations |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Poster presentations have been given at a number of conferences. These presentations provide an excellent opportunity to discuss the work with other researchers. All poster presentations given are listed below. a) J"(Thx, Pu1-x)O2 mixed oxide nuclear fuels", Solid State Chemistry Group Meeting 2017, Reading, 18-19 December 2017 b) "An Investigation of the Thermophysical Properties of mixed oxide nuclear fuels", New Horizons in atomistic Simulation - N8, York, 5 January 2018 c) "A Molecular Dynamics Investigation of Mixed Oxide Nuclear Fuels and their Thermophysical Properties", Steve Parker & Rob Jackson UCL 60th Bday Meeting, London, April 2018 d) "Computational Investigation of Radiation Damage in Metals" HPC Materials Chemistry Consortium Conference, Lincoln, 3-5 September 2018 e) "Atomistic Simulation of Radiation Damage in Tungsten", Solid State Chemistry Group Meeting 2018, London, 17-18 December 2018 f) "Nanostructure Optimization for enhanced Radiation Resistance", Solid State Chemistry Group Meeting 2019, Liverpool, 16-17 December 2019 |
| Year(s) Of Engagement Activity | 2017,2018,2019 |