|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Materials Science and Engineering for Nuclear Energy
||The Thermodynamic and Kinetic Properties of Spinels as They Relate to CRUD
||Ghanshyam Pilania, Blas Pedro Uberuaga, David Andersson
|On-Site Speaker (Planned)
||Blas Pedro Uberuaga
Corrosion of steels in nuclear reactors lead to the formation of oxides that are the ultimate source of the CRUD forming on fuel rods. These oxides are often multifaceted, consisting of various chemistries and cation structures. Ultimately, mass transport through these spinels dictates the corrosion rate and the release of species into the coolant. Thus, it is critical to understand the interrelationship between chemistry, cation structure, and mass transport.
Using a combination of atomistic-level simulation methods, we examine both the thermodynamics and kinetics of defects responsible for mass transport in spinels as a function of chemistry and cation structure. Consistent with previous work, we find that the preferred cation arrangement changes with chemistry. This has important consequences for the defect thermodynamics and kinetics. We discuss the implications of our results on the evolution of CRUD in reactor systems.
||Planned: Supplemental Proceedings volume