CCS and Power Systems

Advanced Energy Systems - Hydrogen Turbines

Computational Design and Experimental Validation of New Thermal Barrier Systems

Performer: Louisiana State University System

Project No: FE0004734


  • The UBER (universal binding energy relation) relation-fitting code with Council of European Nuclear Research (CERN) library has been tested.
  • Performed ab initio DFT simulation on the chromium (Cr), cobalt (Co), and yttrium (Y) crystals. The simulated lattice constant, bulk modulus, and magnetic moment are in good agreement with corresponding experimental results.
  • The materials design environment MedeA® was implemented in HPC lab and tested with Cr and Y crystals.
  • The concentration of aluminum (Al) in ternary AlxTaIr (tantalum iridium) is between 2.7 and 5.5 atomic percent and extra dopant type may be needed to coordinate with other three component elements (Figure 1).
  • Design and fabrication of the TBC durability testing rig has been completed.
  • Thermal cycling tests on TBC samples for gadolinium zirconate/yttria-stabilized zirconia (GZ/YSZ, GZ50%/YSZ etc.) have been conducted (Figure 2).
  • Hot corrosion tests on YSZ-Ta2O5 top coats have been performed (Figure 3).

Project Details