Lawrence Livermore National Laboratory

HPC4Mtls | Solicitation

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HPC4EnergyInnovation Spring 2019 Solicitation — Now Open!

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HPC4Mtls Solicitation Round 2 Now Open!

The U.S. Department of Energy’s (DOE) High Performance Computing for Materials Program (HPC4Mtls) issued a second solicitation. Through support from the Office of Fossil Energy (FE) and the Office of Energy Efficiency and Renewable Energy’s Fuel Cell Technologies (FCTO) and Vehicle Technologies Offices (VTO), industry partners can apply for access to High Performance Computing (HPC) facilities and experienced staff at DOE National Laboratories. The collaborations will address key challenges in developing, modifying, and/or qualifying new or modified materials that perform well in severe or complex energy application environments through the use of high performance computing modeling, simulation, and data analysis.

For each of the program offices supporting this solicitation, provided are brief descriptions of their mission and topics of interest.

DOE Fossil Energy Office The DOE Fossil Energy Office (FE) is the primary sponsor for the HPC4Mtls Program. FE plays a key role in helping the United States meet its continually growing need for secure, reasonably priced, and environmentally sound energy from our abundant fossil energy resources.

Of particular interests to FE in this solicitation are:

  • Predicting material behavior in specific severe environments, such as high-temperature or corrosive environments, found in fossil fuel power plants
  • Exploring the kinetics of materials behavioral degradation
  • Improved performance of alloys (e.g., ferritic alloys by 50 ℃)
  • Obtaining improved high-temperature mechanical performance for lower-cost alloys as compared with more costly, high nickel/cobalt alloys
  • Overcoming barriers to scale up new material production from grams to kilograms, and from kilograms to tonnes
  • Improving the understanding of detailed processes in critical focus areas such as oxidation, corrosion, and electrochemical interactions
  • Overcoming barriers to the manufacture of components with High Entropy Alloys (HEA)
  • Developing modeling and simulation tools that will reduce the time to qualification and certification of materials (e.g., American Society of Mechanical Engineers code materials)
  • Developing modeling and simulation tools that will reduce the time to qualify and certify novel manufacturing processes such as chemical etching, diffusion bonding, and additive manufacturing, for high nickel alloys
  • Overcoming barriers to the manufacture of components for fuel cells
  • Developing machine learning capabilities to predict new materials for energy storage
  • Developing the capability to predict the mechanical behavior and properties of additively manufactured components for use in advanced power cycles such as supercritical carbon dioxide cycles.

The Fuel Cell Technologies Office (FCTO) focuses on early-stage research and development (R&D) to advance hydrogen and fuel cells for transportation and diverse applications that contribute to U.S. energy independence, security and resiliency, and add to a strong domestic economy. FCTO addresses challenges facing the development of hydrogen and fuel cell technologies by integrating basic and applied research, and technology development activities.

Specific topics of interest to FCTO in this solicitation include:

  • Improving performance and durability of electrocatalysts, such as Platinum Group Metals (PGM) free catalysts in fuel cells and electrolyzers
  • Improving materials and interfaces for advanced water-splitting technologies, including electrochemical, thermochemical, and photoelectrochemical approaches
  • Developing machine learning capabilities to predict new materials, such as for hydrogen storage, PGM-free electrocatalysts, membrane separators, and energy converters (e.g., semiconductors for photoelectrochemical hydrogen and redox materials for thermochemical hydrogen)
  • Improving understanding and modeling of interactions in complex systems (e.g., coupling of changes in material properties, mass transport, and thermal management during hydrogen-release reactions in materials-based hydrogen storage systems and in materials-based water-splitting systems with additional requirements on modeling the oxygen release reactions).

The Vehicle Technologies Office (VTO) aims to strengthen U.S. national security, enable future U.S. economic growth and American energy dominance, and help consumers and businesses reduce their transportation energy costs through funding early-stage, high-risk research to generate knowledge upon which industry can develop and deploy innovative energy technologies for the efficient, reliable, and secure transportation of people and goods across America.

Areas of interest supporting activities in VTO include:

  • Predicting microstructure of cast materials based on composition, cooling rates, and heat treatment
  • Improving mechanical performance of alloys at elevated temperatures (between 330℃ and 1100℃)
  • Using machine learning and data analytics to identify promising new material compositions (e.g., for high-temperature and for lightweight structural materials relevant to automotive use and cost constraints)
  • Developing process structure models for dissimilar material joints (e.g., between advanced high-strength steels, aluminum, magnesium, and carbon fiber composite combinations relevant to high-volume automotive assembly)
  • Modeling the aging of adhesives that bond the above four materials, and resultant properties over the life span of an automotive vehicle (how bonds evolve).

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Please send submissions to or use the “Submit Full Proposal” button to send email to this address.


Event Date
Call for proposal November 14, 2018
Informational WebinarView slides November 28, 2018
Informational Webinar December 6, 2018
Concept paper due December 18, 2018
Request for full proposal Early February 2019
Full proposal due Mid March 2019
Finalists notified Late May 2019
Expected project start July 2019