|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Materials Engineering for Nuclear Reactor Applications
||Computer Modeling of Hydrogen and Oxygen Transport during Zirconium Corrosion
||Xian-Ming Bai, Yongfeng Zhang, Michael R Tonks
|On-Site Speaker (Planned)
Zirconium (Zr) based alloys are widely used as the cladding materials in light-water reactors. The water-side corrosion of these alloys results in Zr oxide (ZrO2) formation on alloy surface and hydride formation in the interior of alloys. The transport of oxygen in the oxide layer and hydrogen diffusion in the Zr metal determine the formation kinetics of oxides and hydrides, respectively. The complex stress in alloys during corrosion may affect the oxygen and hydrogen transport. In this work atomistic simulations are used to study how stress affects oxygen transport in tetragonal ZrO2 and hydrogen diffusion in Zr metal. It is found that in both processes compressive stress suppresses the species diffusion and tensile stress enhances the diffusion. In addition, the microstructural features in materials such as grain boundaries can also affect species diffusion. Therefore, the transport of hydrogen and oxygen along grain boundaries is also studied using atomistic simulations.
||Planned: A print-only volume