Richard A. Dennis
Technology Manager, Turbines
National Energy Technology Laboratory
3610 Collins Ferry Road
P.O. Box 880
Morgantown, WV 26507-0880
National Energy Technology Laboratory
626 Cochrans Mill Road
P.O. Box 10940
Pittsburgh, PA 15236-0940
Louisiana State University
Department of Mechanical Engineering
Baton Rouge, LA 70803
DOE Share: $504,863.00
Performer Share: $129,808.00
Total Award Value: $634,671.00
Performer website: Louisiana State University System - http://www.lsu.edu
New thermal barrier coating (TBC) materials can be tested for mechanical, physical, and chemical properties by altering the bond coat and top coat compositions. Current studies on TBCs are usually performed by trial-and-error approach. As the trial-and-error process is usually very expensive and time consuming, the Louisiana State University and Southern University team proposes to design a high performance TBC with enhanced top and bond coat through a reliable and efficient theoretical/computational approach. This can be used systematically to identify promising TBC bond coat and top coat compositions. Using high performance computing (HPC) simulations, an ab initio (i.e., from first principles) molecular dynamics (MD)-based design tool can screen and identify TBC systems with desired physical properties. Such computations work from basic or fundamental laws of nature to derive effects without intervening assumptions or special models, in principle producing well-founded results. The new TBC systems will be demonstrated experimentally under IGCC environments.
The 2Al-34Ta-36Ir crystal structure model used in one of our simulations.
The gray balls are Al atoms, blue balls are Ta atoms, and yellow balls are Ir atoms.
The two Ta atoms are substituted by two Al atoms.
Program Background and Project Benefits
Turbines convert heat energy to mechanical energy by expanding a hot, compressed working fluid through a series of airfoils. Combustion turbines compress air, mix and combust it with a fuel (natural gas, coal-derived synthesis gas [syngas], or hydrogen), and then expand the combustion gases through the airfoils. Expansion turbines expand a working fluid like steam or supercritical carbon dioxide (CO2) that has been heated in a heat exchanger by an external heat source. These two types of turbines are used in conjunction to form a combined cycle— with heat from the combustion gases used as the heat source for the working fluid— improving efficiency and reducing emissions. If oxygen is used for combustion in place of air, then the combustion gases consist mostly of carbon dioxide (CO2) and water, and the CO2 can be easily separated and sent to storage or used for Enhanced Oil Recovery (EOR). Alternatively, the CO2/steam combustion gases can be expanded directly in an oxy-fuel turbine. Turbines are the backbone of power generation in the US, and the diverse power cycles containing turbines provide a variety of electricity generation options for fossil derived fuels. The efficiency of combustion turbines has steadily increased as advanced technologies have provided manufacturers with the ability to produce highly advanced turbines that operate at very high temperatures. The Advanced Turbines program is developing technologies in four key areas that will accelerate turbine performance, efficiency, and cost effectiveness beyond current state-of-the-art and provide tangible benefits to the public in the form of lower cost of electricity (COE), reduced emissions of criteria pollutants, and carbon capture options. The Key Technology areas for the Advanced Hydrogen Turbines Program are: (1) Hydrogen Turbines, (2) Supercritical CO2 Power Cycles, (3) Oxy-Fueled Turbines, and (4) Advanced Steam Turbines.
Hydrogen turbine technology research is being conducted with the goal of producing reliable, affordable, and environmentally friendly electric power in response to the Nation's increasing energy challenges. NETL is leading the research, development, and demonstration of technologies to achieve power production from high hydrogen content (HHC) fuels derived from coal that is clean, efficient, and cost-effective; minimize carbon dioxide (CO2) emissions; and help maintain the Nation's leadership in the export of gas turbine equipment. These goals are being met by developing the most advanced technology in the areas of materials, cooling, heat transfer, manufacturing, aerodynamics, and machine design. Success in these areas will allow machines to be designed that have higher efficiencies and power output with lower emissions and lower cost.
Louisiana State University will utilize a theoretical/computational approach to design a high performance thermal barrier coating (TBC) with enhanced top and bond coat. Using high performance computing (HPC) simulations, an ab initio (i.e., from first principles) molecular dynamics (MD)-based design tool can screen and identify TBC systems with desired physical properties without the need for expensive and time-consuming trial-and-error processes. Such computations work from basic or fundamental laws of nature to derive effects without intervening assumptions or special models, in principle producing well-founded results. Promising TBC systems will be demonstrated experimentally under IGCC conditions. Materials research conducted under the Advanced Turbine Program seeks to improve coating materials that will allow for higher temperature operation and increased durability. These improvements will improve turbine efficiency and reduce maintenance, leading to lower capital costs, reduced operating costs, and reduced costs of electricity for consumers.