High Performance Computing for Materials in Applied Energy Technologies


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October 4, 2019 @ 9:00 AM (PDT)

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About High Performance Computing for Materials in Applied Energy Technologies

Accelerating industry discovery, design, and development of materials in energy technologies by enabling access to computational capabilities and expertise in the DOE laboratories.


  • Discover or design new or improved materials.
  • Predict material behavior in specific severe environments.
  • Scale up material poduction (e.g., from grams to kilograms).
  • Better understand detailed processes in critical areas, for example:
    • Oxidation, corrosion, other electrochemical interactions
    • Behavior under multiple fields (e.g., temperature, stress).
    • Reducing the time required for certification of new materials.
    • Joining of dissimilar materials.

Resources Available to Industry Partners

  • Access to HPC systems at the National Laboratories—including seven of the world’s twelve fastest computers
  • Access to subject matter experts at the National Laboratories to run existing codes and assist with:
    • Material performance predictions at multiple phases/scales.
    • Data interpretation/management and real-time analytics.
    • Integration of multi-physics HPC codes to simulate material behavior.

Benefits of Using High Performance Computing

Enable a step change in the cost, development time, and performance of materials in applied energy technologies to save millions of dollars in fuel and maintenance across industrial sectors, for example:

  • Longer-lasting components for higher temperature turbines (2,700°F) and nuclear cores and cladding.
  • Lower-cost, more reactive catalysts.
  • Coatings to improve thermal and environmental barriers.
  • Materials for supercritical CO2 power cycles, chemical looping combustion, and entirely new devices not formerly possible.

Project Highlights

Fall 2018 Solicitation Selectees

Four projects were selected for funding by the Office of Fossil Energy and Vehicle Technologies Office.

(Photo courtesy AK Steel.)

Read about Fall 2018 Selectees