Nuclear Engineering Commons^™

Simulations Of Ti-Y-O Nanoclusters In Ferritic Alloys, Natalie Browning Camilli

Masters Theses

Nanostructured ferritic alloys possess high strength and resistance to radiation effects due to the presence of nanoprecipitates. Though nanostructured ferritic alloys have desirable mechanical properties, the exact composition and structure of the nanoprecipitates is unknown; thus, atomistic simulations involving the formation of nanoclusters give insight as to their structure. This thesis focuses on the structure, formation and radiation stability of Ti-Y-O [titanium-yttrium-oxygen] nanoclusters in iron. The activation energies for diffusion and the diffusion coefficients of oxygen interstitial atoms in iron are determined. The binding energies of various combinations of oxygen interstitial atoms and iron vacancies are also tabulated. Thermodynamic formation …