Nanoporous Flow Simulations on the Summit Supercomputer

An overview of recent advances in the R&D of atomistically-informed, experimentally-validated mesoscale fluid phase-behavior and transport models. IEEE SC19 Best Research Poster Award.

An overview of recent advances in the R&D of atomistically-informed, experimentally-validated mesoscale fluid phase-behavior and transport models. IEEE SC19 Best Research Poster Award.

Shales are fine-grained sedimentary rocks that contain large natural gas & petroleum sources. Shales are also an attractive repository for permanent geologic carbon sequestration. However, the transport properties in shales are challenging to measure experimentally and predict numerically with continuum-based models, because of their non-uniform pore distribution on the "mesoscale" (nano-to-micro) and their physical & chemical heterogeneity in material properties under nanoconfinement.

This talk presents an overview of recent advances in the R&D of atomistically-informed, experimentally-validated mesoscale fluid phase-behavior and transport models under the support of the Idaho National Laboratory's Laboratory-Directed R&D (LDRD) program and U.S. Department of Energy (DOE) Office of Science Basic Energy Sciences (BES) Energy Frontier Research Center (EFRC) for Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials (MUSE).

The flow models have been implemented in multi-GPU-enabled packages and deployed for scientific discoveries on DOE's leadership-class supercomputers, Titan and Summit (previously and presently world's fastest, respectively). Studies have shown that these supercomputers have facilitated large-scale nanoporous flow simulations that were previously not possible.