Reducing Risk through Uncertainty Quantification for Past, Present and Future Generations of Nuclear Power Plant
Lead Research Organisation:
University of Warwick
Department Name: Sch of Engineering
Abstract
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Organisations
People |
ORCID iD |
| James Kermode (Principal Investigator) |
Publications
Anand G
(2022)
Exploiting Machine Learning in Multiscale Modelling of Materials
in Journal of The Institution of Engineers (India): Series D
Bartók A
(2018)
Machine Learning a General-Purpose Interatomic Potential for Silicon
in Physical Review X
Bianchini F
(2019)
Enabling QM-accurate simulation of dislocation motion in ? - Ni and a - Fe using a hybrid multiscale approach
in Physical Review Materials
Buze M
(2021)
Numerical-continuation-enhanced flexible boundary condition scheme applied to mode-I and mode-III fracture.
in Physical review. E
Darby J
(2022)
Compressing local atomic neighbourhood descriptors
in npj Computational Materials
Golebiowski JR
(2020)
Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer composites.
in Physical chemistry chemical physics : PCCP
Goryaeva A
(2021)
Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W
in Physical Review Materials
Grigorev P
(2023)
Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods
in Acta Materialia
Grigorev P
(2020)
Hybrid quantum/classical study of hydrogen-decorated screw dislocations in tungsten: Ultrafast pipe diffusion, core reconstruction, and effects on glide mechanism
in Physical Review Materials
Khosrownejad S
(2021)
Quantitative prediction of the fracture toughness of amorphous carbon from atomic-scale simulations
in Physical Review Materials
| Description | The project developed and applied quantum mechanically accurate simulations of defects in metals and ceramics to make predictions about how these materials fail. Our findings also allowed the uncertainty associated with our predictions to be quantified to allow an assessment of their validity. Please see also the Key Findings description provided for EP/R012423/1. |
| Exploitation Route | Our findings could be incorporated in larger scale models such as finite element method simulations of fracture, crystal plasticity and discrete dislocation dynamics. They can also be directly compared with experiments. They are relevant to inform the use of materials in fracture-relevant applications such as the Nuclear and Oil and Gas industries. |
| Sectors | Aerospace, Defence and Marine,Education,Energy |
| Description | A PDRA associated with the project has moved to a new research position elsewhere in Europe, consolidating an international collaboration and improving cultural links. |
| First Year Of Impact | 2021 |
| Sector | Aerospace, Defence and Marine,Education |
| Impact Types | Cultural,Societal,Economic |
| Description | EPSRC Centre for Doctoral Training in Modelling of Heterogeneous Systems |
| Amount | £5,752,474 (GBP) |
| Funding ID | EP/S022848/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 03/2019 |
| End | 09/2027 |
| Description | EPSRC standard grant |
| Amount | £442,958 (GBP) |
| Funding ID | EP/R043612/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 10/2018 |
| End | 03/2022 |
| Description | European Database for Multiscale Modelling of Radiation Damage (ENTENTE) |
| Amount | € 4,000,000 (EUR) |
| Funding ID | 900018 |
| Organisation | European Commission |
| Sector | Public |
| Country | European Union (EU) |
| Start | 09/2020 |
| End | 08/2024 |
| Description | Support for advanced transition state search techniques in CASTEP |
| Amount | £29,000 (GBP) |
| Funding ID | 2nd ARCHER2 eCSE call |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 03/2021 |
| End | 08/2021 |