Details of Grant 

EPSRC Reference:	GR/S81155/01
Title:	Predictive Modelling of Mechanical Properties of Materials for Fusion Power Plants
Principal Investigator:	Roberts, Professor SG
Other Investigators:	Pettifor, Professor D Wilkinson, Professor AJ
Researcher Co-Investigators:	Dr D Nguyen-Manh
Project Partners:	EURATOM/UKAEA Fusion Association
Department:	Materials
Organisation:	University of Oxford
Scheme:	Standard Research (Pre-FEC)
Starts:	20 October 2004	Ends:	19 January 2009	Value (£):	482,629
EPSRC Research Topic Classifications:	Eng. Dynamics & Tribology Fusion Materials Characterisation
EPSRC Industrial Sector Classifications:	Energy
Related Grants:	GR/S81186/01 GR/S81179/01 GR/S81162/01 GR/S81193/01
Panel History:
Summary on Grant Application Form
This research project is aimed at a thorough understanding of the microstructure, flow and fracture behaviour of metals and alloys with the the body-centred cubic crystal structure. The specific focus is on materials proposed for structural components in fusion power plants; vanadium and tungsten, iron and iron-chromium binaries up to 12% Cr. The project will also examine the changes in behaviour of the materials produced by irradiation. The understanding achieved in the project will enable us to predict the mechanical behaviour of these and related materials.The approach is to use inter-linked computer modelling methods, at scales ranging from the sub-atomic to that of the materials' microstructure. Each level will use input parameters derived from more fundamental levels of modelling. The key elements are (a) abinitio modelling for development of interatomic potentials for use in molecular dynamics (MD) simulations; (b) MD modelling of (i) defect generation under high-energy neutron irradiation, (ii) dislocation mobility in defect-free crystals of the materials and (iii) interactions of dislocations with defects; (c) kinetic theory and kinetic Monte-Carlo modelling of evolution of collision cascade structures beyond the MD timescale; (d) dislocation dynamics simulations of flow, fracture and brittle - ductile transition behaviour.This modelling project will be closely linked to a complementary experimental programme (-750k) funded by UKAEA Culham, which will act to guide development of the models and to verify their predictions.
Key Findings
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Further Information:
Organisation Website:	http://www.ox.ac.uk