Project Overview


The overall objective of the Center is to simulate with quantified uncertainty, from pore-particle-to-continuum-scales, a class of problems involving granular flows, large deformations, and fracture/fragmentation of unbonded and bonded particulate materials. The overarching problem is the processing and thermo-mechanical behavior of compressed virgin and recycled mock High Explosive (HE) material subjected to quasi-static and high-strain-rate confined and unconfined compression, in-situ quasi-static X-ray computed tomography (CT), and dynamic (impact) experiments with ultrafast and high-speed X-ray imaging at the Advanced Photon Source (APS), Argonne National Laboratory (ANL).



To accomplish the objective, a micromorphic multiphysics multiscale computational framework will be developed, verified, and validated with quantified uncertainty, and executed on Exascale computing platforms seamlessly through a scientific software workflow to reduce FTE effort on handling data from beginning to end of simulation. Machine Learning (ML) algorithms will be applied to fill the gaps in multiscale constitutive modeling via coordinated pore-particle-scale experiments and Direct Numerical Simulations (DNS). An extensive, integrated, experimental program at quasi-static, dynamic, and high-strain rates (some within the ultrafast high-speed X-ray imaging facility at the APS and also pRad at Los Alamos National Laboratory, LANL), ranging from pore-particle-to-specimen-scales, will be conducted to validate heterogeneous pore-particle-to-continuum-scale computational models, calibrate model parameters, and validate the overall computational framework. Exascale computing is needed to simulate these more sophisticated micromorphic multiphysics bridged-DNS simulations, with offline ML training of micromorphic constitutive relations to DNS. Furthermore, for Validation and Uncertainty Quantification (UQ) requiring multiple instances of these simulations over statistical distributions of inputs (such as particle size distribution), with high and low fidelity, Exascale computing is a necessity.

Anticipated Outcomes and Benefits of Research

The Center research will usher in a new era of higher fidelity multiscale multiphysics computation through large deformation micromorphic continuum field theories informed by DNS through the latest ML techniques calibrated and validated against a rich experimental data set. Applying advances in V&V/UQ, Exascale computing, and Integration/Workflows will make the applicability of such approach to reduce uncertainty in continuum-scale computations based on statistical distributions of materials information at the pore-particle-scale of bonded particulate materials a reality, which has significant influence on the success of the Stockpile Stewardship Program (e.g., High Explosive (HE) materials) and beyond.