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Extending Molecular Simulation to Grain Scale for Simulating Response of Energetic Material Under High Strain Rate and Shock Loading

Award Information
Agency: Department of Defense
Branch: Air Force
Contract: FA8651-17-P-0128
Agency Tracking Number: F17A-023-0081
Amount: $149,949.00
Phase: Phase I
Program: STTR
Solicitation Topic Code: AF17A-T023
Solicitation Number: 2017.0
Solicitation Year: 2017
Award Year: 2017
Award Start Date (Proposal Award Date): 2017-07-11
Award End Date (Contract End Date): 2018-04-11
Small Business Information
701 McMillian Way NW
Huntsville, AL 35806
United States
DUNS: 185169620
HUBZone Owned: No
Woman Owned: No
Socially and Economically Disadvantaged: No
Principal Investigator
 Dr. Debasis Sengupta
 Technical Fellow
 (256) 726-4800
Business Contact
 Deborah Phipps
Phone: (256) 726-4884
Research Institution
 Sandia National Laboratories
 Bernadette Watts
 (505) 844-3936
 Federally Funded R&D Center (FFRDC)

High Velocity Penetrator Weapons experience severe stress in terms of high frequency vibration and shock during launch, flight, and on impact. The extreme conditions have significant impact on the survivability of the weapon due to damage of the energetic material and fuze compartment. Molecular dynamics is often used to understand the effect of external shock on the material. However, molecular dynamics simulations are not practical at the micron length scale of the energetic material crystal grains. The CFDRC team proposes to develop a novel protocol for information passing from molecular dynamics simulations to a multi-scale continuum level method for extending the length scale to micron for grain scale simulation. In Phase I, we propose to demonstrate the proof-of-concept by developing and verifying the protocol, and performing shock induced simulation to compute local damage and hotspot formation for a representative microstructure of an organic energetic material. In Phase II, we will extend the technique to complex explosive material formulation and make advanced prediction on survivability of the penetrator energetic material.

* Information listed above is at the time of submission. *

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