The European Atomic Energy Community, Association EURATOM - University of Latvia (AEUL), FP7
"Ab initio atomistic calculations of the reduced activation steels strengthened by yttrium oxide precipitates"
Dates: 01.01.2010.-31.12.2010.
Responsible person: Dr Y.Zhukovskii
E-mail: quantzh@latnet.lv
Tel. 67187480 (mob. 28824271)
Abstract
Reduced activation steels strengthened by yttria precipitates are considered as promising structural materials for future fusion- and advanced fission-reactors. In particular, application of oxide dispersion strengthened (ODS) steels for fusion reactor blanket structures would allow increasing its operation temperature by ~100°C that has as a consequence considerable increase of the efficiency of fusion energy production. Both the size and spatial distributions of oxide precipitates significantly affect the mechanical properties and radiation resistance of ODS steels. Several recent experiments indicate that at least part of yttrium oxide particles present in the initial powder might be dissolved inside steel matrix during mechanical alloying.
Our project is aimed at the investigation of atomic scale mechanisms of yttria particle nucleation and growth. For the study of atomic scale mechanisms of precipitate nucleation it is necessary to investigate interaction of yttrium solute atoms with vacancies and with interstitial oxygen as well as possible diffusion paths of their stable complexes. This phase of the project requires systematic large-scale first principle calculations using supercomputers. The data set obtained in this phase will be used for further kinetic Monte Carlo simulations of yttria particle nucleation and growth.