Multiscale modeling of multiphase combustion - a psaap IV predictive simulation center (PSC)

The Department of Energy National Nuclear Security Administration awarded a cooperative agreement totaling $2.134 million to the University of Florida on September 15, 2025, to establish the Center for Multiscale Modeling of Multiphase Combustion (CM3C) under the Predictive Science Academic Alliance Program IV (CFDA 81.124). The center will develop multiscale modeling frameworks combining scientific computing and machine learning to solve fundamental problems of phase change and group combustion of dense particle clouds under high-speed and detonation conditions. The cooperative agreement runs through September 14, 2030, with place of performance in Gainesville, Florida.

Georgia Institute of Technology performs software development and deployment on exascale systems, including HPC-system communication management such as GPU-direct memory transfers and memory-access optimization for irregular access patterns in later simulation stages. Georgia Tech serves as principal software maintainers of MFC, the code being used and extended for the project.

Purdue University, under the direction of Daniel Guildenbecher (Mechanical Engineering) with co-principal investigators Chris Goldenstein and Carson Slabaugh, performs experimental validation work across two primary tasks. Purdue develops and tests a high-temperature, high-velocity multi-carbon rod combustion rig and conducts explosive particle dispersal and combustion experiments. Work includes explosive testing with imaging and pressure diagnostics, construction of a custom test section integrated with Zucrow flow facilities for carbon rod combustion investigation, quantitative single-rod measurements for model validation, advanced diagnostics implementation, multi-rod experiments with iterative model validation collaboration, and participation in center technical exchanges across the five-year performance period.

In collaboration with the georgia institute of technology and purdue university, will establish a center for multiscale modeling of multiphase combustion (CM3C) as part of the nnsa's predictive science academic alliance program-IV's broad single science/engineering-focused predictive simulation center (PSC). We propose to solve the fundamental problem of phase change and group combustion of a dense cloud of particles under high-speed and detonation conditions at an unprecedented level of physical detail with a state-of-the-art multiscale modeling framework that combines the powers of scientific computing (SC) and machine learning (ML).