DURIP-FY20) INTEGRATING MULTISCALE MODELING AND EXPERIMENTS TO DEVELOP A MESO-INFORMED PREDICTIVE CAPABILITY FOR EXPLOSIVES SAFETY AND PERFORMANCE
Abstract
The goal of a recently funded DoD/AFOSR MURI project, for which the present proposer is Principal Investigator, is to use tightly integrated experimental, computational, and theoretical research for the development of a transformational, next-generation, multi-scale reactive-burn modelling framework capable of predicting ignition, initiation, and detonation for a wide range of plastic-bonded explosive (PBX) materials. This DURIP equipment proposal requests funds to purchase a Linux computing cluster in direct support of the new MURI. Four independently selectable options, ranging in size from 8 nodes (352 computing cores) to 28 nodes (1232 cores), are provided. The two smaller options would facilitate high-throughput atomic-scale [i.e., molecular dynamics (MD) and electronic structure (“quantum chemistry”)] calculations of fundamental thermo-physical & mechanical properties and large-scale MD simulations of the physics & chemistry of shock wave interactions with PBX constituent materials for samples containing up to approximately 20-million atoms. The two larger options would enable those same simulations but also much larger ones extending to as many as 100-millions atoms. The knowledge produced from these simulations is required for both the formulation of meso-scale continuum models and their parameterization for specific materials. While designed as a freestanding computer, if selected for funding the new equipment will be seamlessly integrated into the ‘Lewis’ supercomputer at the University of Missouri-Columbia to maximize the computing power that can be brought to bear for the MURI. If fully funded, the new equipment will comprise an increase by approximately 20 percent in the overall computing capability of Lewis.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 12, 2021
- Source ID
- FA95502010205
Entities
People
- Thomas Sewell
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of Missouri System