In-silico Validation of Dislocation Mobility and Plasticity Laws in the Presence of Irradiation-Induced Defects via Molecular Dynamics

Materials for fusion reactors need to survive and function in an incredibly harsh environment. One feature of this environment is bombardment by large numbers of highly energetic neutrons, which create damage at the atomic scale and fundamentally alter the properties of materials.

A traditional approach to designing materials and certifying them for use involves a series of standard tests, which place specimens in environments representative of those in which they will be deployed. But until we have a working fusion reactor, we will have no representative source of neutrons suitable for this sort of testing.

Part of the solution to this chicken-and-egg problem will come from modelling. If we can create materials models with predictive power, then we can use these to build confidence that our materials will perform as we need them to.

This project will work to support a programme of predictive modelling at UKAEA called Design by Fundamentals, which seeks to build models of plastic deformation in metals that plant engineers can confidently use to make design decisions. You will use classical molecular dynamics simulations of deformation in metals crystals to produce data that can be used to formulate and validate laws for the motion and interaction of dislocation defects at longer length and time-scales. These rules will allow you to study the plasticity at the microstructural scale using Discrete Dislocation Dynamics and Crystal Plasticity simulations.

You will join the group of Professor Chris Race (UKAEA Chair in Fusion Materials) at the University of Sheffield. The project is in collaboration with UKAEA and co-supervised by Dr Chris Hardie. You will be trained in atomistic and mesoscale simulation techniques and have the opportunity to be involved in the broader Design by Fundamentals research programme at UKAEA.

The project will be mainly based in Sheffield. There will be opportunities for travel to CCFE in Culham and for international travel for conferences and collaboration. The extent of travel will be tailored to the needs and desires of the student to make sure the project is as accessible to all, regardless of personal circumstances.

This project may be compatible with part time study, please contact the project supervisors if you are interested in exploring this.

This project is offered by University of Sheffield. For further information please contact Chris Race [Email Address Removed]