Today, the U.S. Department of Energy (DOE) announces $2.7 million in funding for nine projects that fall under the High Performance Computing for Materials (HPC4Mtls) Program.

This program aims to utilize the high performance computing (HPC) of DOE’s National Laboratories to help industry develop new or improved materials that can withstand extreme conditions.  Under HPC4Mtls, selected projects will have access to the labs’ HPC facilities, as well as the labs’ expertise in modeling, simulation, and data analysis.

The HPC4Mtls Program is part of a larger HPC4EnergyInnovation Initiative, a DOE-wide effort comprising the Office of Fossil Energy (FE), the Office of Energy Efficiency and Renewable Energy (EERE), the Office of Science, and the National Laboratories. These government entities collaborate with companies to make material advancements that could save industry millions of dollars in fuel and maintenance across sectors.

The HPC4Mtls Program is supported with funding from FE and EERE’s Vehicle Technologies Office (VTO) and Fuel Cell Technologies Office (FCTO).

FE has selected five projects under the first round of solicitations:

1. Utilizing High Performance Computational Analysis to Characterize the Operating Envelop of Various NGCC Operating Technologies – Quantifying Efficiency, Availability, and Durability of Critical Hot Gas Path Hardware and Assessing the Impact on other Downstream Systems or Components across Cyclic Operating States – Strategic Power Systems, Inc.  (SPS) (Charlotte, NC) will focus on the fusion of total plant data, through transformation and analysis, with subject matter expertise, to more effectively optimize power plant performance and availability. SPS will partner with Oak Ridge National Laboratory for this project.
FE Funding: $300,000; In-Kind Contribution: $200,000; Total Value: $500,000

2. An Investigation of the Effect of Cyclic Operation on HRSG and Coal-Fired Boiler Tubes – Failures Induced by High Thermal Stress and Component Fatigue – An Opportunity for Predictive Maintenance – Strategic Power Systems, Inc. (SPS) (Charlotte, NC) will model the operation of heat recovery steam generators (HRSGs) to predict crack growth, oxide-scale exfoliation, and other failure modes. Predictions will be validated against observed fatigue failure, and they could be used to change operating conditions to mitigate cycling damage and to enable predictive maintenance. SPS will partner with the National Energy Technology Laboratory for this project.
FE Funding: $300,000; In-Kind Contribution: $200,000; Total Value: $500,000

3. Understanding Complex, Coupled Mechanisms of Hot Corrosion Degradation with Computational Models – United Technologies Research Center (East Hartford, CT) will construct an integrated framework coupling large-scale quantum chemical simulations of surface kinetics with mass transport through a phase-field model for nickel-chromium-aluminum alloy oxidation. United Technologies Research Center will partner with Lawrence Livermore National Laboratory for this project.
FE Funding: $300,000; In-Kind Contribution: $60,000; Total Value: $360,000

4. Predicting Limit Rub Response in Advanced Gas Turbine Engines – Pratt & Whitney (East Hartford, CT) will work to predict aluminum-silicon abradable conditions in gas turbine applications. Pratt & Whitney will partner with Oak Ridge National Laboratory for this project.
FE Funding: $300,000; In-Kind Contribution: $95,554; Total Value: $395,554

5. High-Performance Multi-Scale Modeling of Material Imperfections of Critical Fossil Power Generation Components – Siemens Energy Inc. (Charlotte, NC) will use HPC particle-based simulation methods in order to understand crack nucleation from forging flaws. Siemens Energy Inc. will partner with Los Alamos National Laboratory for this project.
FE Funding: $292,000; In-Kind Contribution: $90,000; Total Value: $382,000

EERE’s FCTO and VTO have selected four projects under the first round of solicitations:

1. Efficient and Safe Hydrogen Refueling of Fuel Cell Vehicles from an Emergency Chemical Hydride Storage Source – Skyhaven Systems, LLC (Steamboat Springs, CO) will model spatial and temporal variation of heat and mass transfer in lithium hydride/water-based hydrogen refueler. Skyhaven Systems, LLC will partner with Sandia National Laboratories for this project.
FCTO Funding: $300,000; In-Kind Contribution: $60,000; Total Value: $360,000

2. Simulation of Transport Phenomena in Molten Metal Reactor – Shell International Exploration and Production (South Houston, TX) will simulate heat and mass transport phenomena in a liquid bubble column reactor for converting methane to carbon and dihydrogen. Shell International Exploration and Production will partner with Oak Ridge National Laboratory for this project.
FCTO Funding: $300,000; In-Kind Contribution: $60,000; Total Value: $360,000

3. Development of a Predictive Model of Antiphase Boundary Energy for L12-Strengthened Superalloys – Carpenter Technology Corporation (Reading, PA) will synthesize novel materials virtually, with properties, including strength, predicted computationally. Carpenter Technology Corporation will partner with Lawrence Livermore National Laboratory for this project.
VTO Funding: $300,000; In-Kind Contribution: $75,997; Total Value: $375,997

4. An Advanced Meso-Scale Peridynamic Modeling Technology Using High Performance Computing for Cost-Effective Product Design and Testing of Carbon Fiber-Reinforced Polymer Composites in Light-Weight Vehicles – Ford Motor Company (Dearborn, MI) will improve prediction of crash response of carbon composites in auto parts. Ford Motor Company will partner with Oak Ridge National Laboratory on this project.
VTO Funding: $300,000; In-Kind Contribution: $60,000; Total Value: $360,000

To learn more about the programs within the Office of Fossil Energy, visit the FE website or sign up for FE news announcements.