Lawrence Livermore National Laboratory

HPC4Mtls | Solicitation

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First Round of HPC4Mtls Solicitation is Now Closed

The first HPC4Mtls Program solicitation seeks concept papers that will address key challenges in developing, modifying, and/or qualifying new or modified materials that perform well in severe and complex energy application environments using high performance computing, modeling, simulation, and data analysis. For each of the program offices supporting this solicitation, we provide brief descriptions of their mission and the topics of interest to them.

Deadline for full proposal submission is July 31, 2018 at 11:59 pm PDT.

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 interest 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
  • Improving performance of alloys (e.g., ferritic alloys by 50°C)
  • Overcoming the barriers to the scale up of new material production from grams to kilograms, and from kilograms to tonnes
  • Improving understanding of detailed processes in critical focus areas such as oxidation, corrosion, electrochemical interactions
  • Overcoming barriers to the manufacture of components with High Entropy Alloys (HEA)
  • Modeling and simulation tools that will reduce the time to qualification and certification of materials (e.g., ASME code materials)

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) funds early-stage, high-risk research on innovative vehicle and transportation technologies to strengthen national security, enable future economic growth, and increase transportation energy efficiency. VTO leverages the unique capabilities and world-class expertise of the national laboratory system to develop innovations in electrification, advanced combustion engines and fuels, advanced materials, and energy efficient mobility systems.

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°C and 1100°C)
  • 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, Al, Mg, carbon fiber composites 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)

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



Event Date (2018)
Call for proposal February 28
Informational webinar — View Slides March 8 at 10:30 a.m. PST
Informational webinar March 14 at 10:00 a.m. PDT
Concept paper due April 19 at 11:59 p.m. PDT
Request for full proposal Early June
Full proposal due July 31
Finalists notified Mid-September
Expected project start December