Modeling Adsorption and Surface Diffusion of Metal Nanoclusters on α-Alumina Surfaces for Advanced Manufacturing of In-Pile Nuclear Instrumentation

There is a need for robust, resistant nuclear instrumentation capable of withstanding higher temperatures and radiation. High temperature irradiation resistant thermocouples (HTIR-TCs) are in-pile instruments that can resist severe conditions, providing data to keep nuclear energy safe. Advanced manufacturing of HTIR-TC's of niobium Nb and molybdenum Mo can be "printed" on an alpha-alumina surface using techniques such as aerosol jet printing or plasma jet printing. Diffusion and adsorption of individual Nb and Mo atoms were studied using density functional theory (DFT)-based methods in our prior work. Through ongoing computations, the interactions of nanoclusters with the alumina surface are investigated using similar DFT methods. Understanding these interactions and the effect of nanocluster size on the interactions can guide the advanced manufacturing of HTIR-TCs.