|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Defect Formation in Aqueous Environment: Theoretical Assessment of Boron Incorporation in Nickel Ferrite under Conditions of an Operating Pressurized-water Nuclear Reactor (PWR)
||Zsolt Rak, Donald W. Brenner
|On-Site Speaker (Planned)
A serious concern in the safety and economy of a pressurized water nuclear reactor is related to the accumulation of boron inside the metal oxide (mostly NiFe2O4 spinel) deposits on the upper regions of the fuel rods. Boron, being a potent neutron absorber, can alter the neutron flux causing anomalous shifts and fluctuations in the power output of the reactor core. This phenomenon reduces the operational flexibility of the plant and may force the down-rating of the reactor. In this work first-principles calculations are combined with thermodynamic data to evaluate the possibility of B incorporation into the crystal structure of NiFe2O4, under conditions typical to operating pressurized water nuclear reactors. Analyses of temperature and pH dependence of the defect formation energies indicate that B can accumulate in NiFe2O4 as an interstitial impurity and may therefore be a major contributor to the anomalous axial power shift observed in nuclear reactors.
||Planned: A print-only volume