June 29, 2006
Book Chapter

Atomistic Modeliing of the Interactions of He with Nanoclusters in Fe

Abstract

Structural materials of a fusion power system will be exposed to high concentrations of He produced from nuclear transmutation reactions. Helium is essentially insoluble in metals so there is a strong tendency for it to form bubbles that can significantly degrade mechanical properties. A strategy to effectively manage He is to provide a high-density of internal interfaces to serve as He bubble nucleation sites and vacancy-interstitial recombination centers. Nanostructured ferritic alloys are being developed to provide improved creep strength and He management capability compared to conventional steels. A key characteristic of these materials is the high-density (~1024 m-3) of nanometer-scale (~3 nm diameter) Y-Ti-O clusters. We describe molecular dynamics simulations to assess the interaction of He atoms, vacancies and He-vacancy complexes with coherent Cu nanoclusters in Fe. The potentials employed here were adjusted to explore the effect of nanocluster elastic properties on He trapping efficiency.

Revised: February 20, 2009 | Published: June 29, 2006

Citation

Kurtz R.J., F. Gao, H.L. Heinisch, B.D. Wirth, G.R. Odette, and T. Yamamoto. 2006. Atomistic Modeliing of the Interactions of He with Nanoclusters in Fe. In Fusion Materials Semiannual Report (DOE/ER-313/39) covers the period from July 1 to December 31, 2005. 167-173. Richland, Washington:Fusion Materials Semiannual Report. PNNL-SA-49267.