Participants: G. S. Was, J. Peniston, Graduate student
Sponsor: U.S. Department of Energy, Nuclear Energy Research Initiative (NERI)
The primary objective of this project is to investigate the effect of irradiation on the segregation and phase stability in candidate alloys proposed for application as structural materials for transmutation in the advanced burner reactor. The project will focus on two ferritic-martensitic alloys, and will also include an experimental ODS alloy and an advanced austenitic alloy in a coordinated experimental and modeling effort to investigate the complex electronic–magnetic–elastic interactions between Cr and radiation induced defects controlling radiation induced segregation in F-M alloys. This project will provide a mechanistic understanding of segregation and phase stability that can be used to develop predictive irradiation performance models. It will also provide data against which forthcoming in-reactor irradiations can be interpreted and understood, as well as guidance and direction for those experiments.
This proposal is centered on the two F-M alloys; T91 and HT-9 as both are viable candidates for the ABTR and form the basis for more advanced alloys for the ABR, and will focus on Cr RIS and phase stability in these alloys under irradiation, as these are potentially limiting processes for their application. However, the full, irradiated microstructure needs to be considered as the radiation effects processes are interrelated. Also included in the workscope is a ferritic ODS alloy because of its superior irradiated microstructure stability and strength. In addition, an advanced austenitic candidate alloy, D9, is included because it is the leading austenitic alloy, and yet it potentially can suffer from RIS (of Si) and the formation of deleterious phases (silicides) that could affect performance. Experiments will be conduced by proton and heavy ion irradiation over the dose range 3-100 dpa and the temperature range 350-550°C with the inclusion of He at the highest doses. Analysis of RIS, phase microstructure, dislocation microstructure and hardening will be conducted on all conditions to provide a systematic set of data.
The modeling tasks will involve ab-initio electronic structure calculations to investigate the configuration-dependent binding and migration energies of Cr with vacancy and interstitial defects, including small clusters. These values will enable development of atomistic-based kinetic Monte Carlo models similar to those employed previously to evaluate He diffusion in Fe and specifically designed to investigate the Cr diffusivity by interstitial and vacancy mechanisms. The RIS tendencies of Cr in F-M alloys will be predicted as a function of temperature and dose, based on migration mechanisms and energies obtained from ab initio calculations. The outcomes of this modeling task will be mechanistic interpretation of the complex Cr RIS behavior, and key diffusional parameters for both continuum level rate theory models and the development predictive RIS models of Cr and Si in F-M alloys. The combined experimental-modeling program is designed to provide a set of data on the behavior of RIS, phase microstructure, dislocation microstructure and hardening as a function of dose and temperature in the range 350-550°C and 3-100 dpa. This data will be used to benchmark RIS and dislocation microstructure models developed from ab initio electronic structure calculations and extended to kinetic Monte Carlo and continuum rate theory (MIK) models.