Energetic Materials Workshop

Engineering at Illinois Engineering at Illinois

Energetic Materials Workshop

Workshop Schedule

Wednesday, October 29, 2008

8:00 am   Michael Heath, UIUC – Welcome and Overview
8:10 am   Dimitri Kusnezov, NNSA – View from HQ
Session 1 Macroscale Modeling and Simulation
8:30 am   Ash Kapila, RPI – Detonation Propagation in High-Energy Explosives: Phenomenological Modeling, Computational Predictions and Scientific Challenges
9:00 am   Peter Vitello, LLNL – Reactive Flow Modeling of Transient Detonations in Insensitive High Explosives
9:30 am   Bob Schmitt, SNL – Modeling Fragment Impact Initiation of High Explosives
10:00 am   Break
Session 2 Mesoscale Modeling and Simulation
10:15 am   Mel Baer, SNL – Mesoscale Simulation of Energetic Material Dynamic Processes
10:45 am   Fady Najjar, LLNL – Mesoscale Simulations of Hot Spot Initiation in High-Energetic Material: Non-Reactive Mechanisms Analysis
11:15 am   Jon Freund, UIUC – Numerical Simulation of Shock Induced Detonations in Energetic Materials Using an Adaptive Mesh Redistribution Method
11:45 am   Karel Matous, UIUC – Hierarchical Multiscale Modeling of Heterogeneous Solid Propellants: From Microtomography to Material Failure and Combustion
12:15 pm   Lunch
Session 3 Atomistic Modeling and Simulation
1:15 pm   Tommy Sewell, U. Missouri – Atomic-Scale Predictions of Fundamental Properties and Processes in Energetic Molecular Crystals
1:45 pm   Riad Manaa, LLNL – Atomistic Simulations of Chemical Reactivity of Energetic Materials Under Thermal and Shock Conditions
2:15 pm   Aidan Thompson, SNL – Molecular Simulation of Initial Chemical Response to Shock-Loading in PETN
2:45 pm   Break
Session 4 Group Discussion
3:00 pm   What are the critical remaining challenges in achieving validated predictive simulations of energetic materials?
5:00 pm   Adjourn
6:30 pm   Dinner – Tang Dynasty, Lincoln Square Mall, Urbana

Thursday, October 30, 2008

8:00 am   Coffee
Session 5 Bridging Scales
8:30 am   Ed Kober, LANL – Reactive Pseudo-Atomistic Simulations of Energetic Materials
9:00 am   Larry Fried, LLNL – Multiscale Modeling of High Explosive Detonation and Supporting Experiments
9:30 am   John Brennan, ARL– Particle-Based Mesoscale Modeling of Energy Release Processes: Dissipative Particle Dynamics Simulations of Shear Initiated Behavior
10:00 pm   Grant Smith, U. Utah – EOS and Viscoelastic Constitutive Models for PBX-9501 from Multiscale Simulations
10:30 pm   Break
Session 6 Kinetics and Packing
10:45 am   Craig Tarver, LLNL – Chemical Kinetic Modeling of Safety and Performance of Condensed Explosives
11:15 am   Rich Behrens, SNL – Understanding Reaction Processes at the Boundary of Chemistry and Material Science: Reactions of Energetic Materials
11:45 am   Shane Stafford and Tom Jackson, UIUC – Random Packs and Their Use in Modeling High Speed Porous Flow
12:15 pm   Lunch
Session 7 Validation Experiments
1:15 pm   Larry Hill, LANL – A Survey of Heterogeneous Effects in High Explosive Materials
1:45 pm   Nick Glumac, UIUC – Small Scale Energetic Materials Validation Experiments at Illinois
2:15 pm   John Lambros and Joanna Austin, UIUC – Real-Time Diagnostics for High Speed Thermomechanical and Hydrodynamic Processes
2:45 pm   Break
Session 8 Group Discussion
3:00 pm   What are the next steps in defining, funding, and advancing an agenda for achieving validated predictive simulations of energetic materials?
5:00 pm   Workshop Adjourns