EU fusion materials modelling programme: status, achievements and future objectives

1. EU fusion materials modelling programme: status, achievements and future objectives S.L. Dudarev, J.-L. Boutard, R. Lässer, M.J. Caturla, P.M. Derlet, M. Fivel, C.-C. Fu, M.Y. Lavrentiev, L. Malerba, M. Mrovec, D. Nguyen-Manh, K. Nordlund, M. Perlado, R. Schäublin, H. Van Swygenhoven, D. Terentyev, J. Wallenius, D. Weygand and F. Willaime EURATOM Associations ICFRM13, Nice 2007: an overview of the EU Fusion Materials Modelling Programme

2. The dynamics of microstructural evolution 50 nm Thermal Brownian motion of nanoscale prismatic dislocation loops in pure iron at 610K (courtesy of K. Arakawa, Osaka University, Japan). Science 318 (2007) 956 Growth of dislocation loops in ultra-pure iron under in-situ self-ion irradiation at 300K (courtesy of Z. Yao and M. L. Jenkins, Oxford University, UK). Philos. Magazine (2007) in the press ICFRM13, Nice 2007: an overview of the EU Fusion Materials Modelling Programme

3. The fundamental microscopic objects P. Olsson, 2002 Density functional theory calculations showed that magnetism was responsible for one of the most significant feature of the FeCr phase diagram (2002). DFT calculations also identified the pathways of migration of defects in iron (2004), as illustrated by the movie above. ICFRM13, Nice 2007: an overview of the EU Fusion Materials Modelling Programme

4. Migration of radiation defects in pure metals Fe: migration of a single 110 self-interstitial defect at 200°C. Fe or W: migration of a 61-atom self-interstitial atom cluster at 200°C. W: migration of a single 111 self-interstitial defect at 500°C. Radiation defects produced by collision cascades in pure metals migrate very fast (linear velocities are in the 100 m/s range, and diffusion coefficients are of the order of ~10-9 m2/s). ICFRM13, Nice 2007: an overview of the EU Fusion Materials Modelling Programme