Published July 20, 2004
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Initial Chemical Events in the Energetic Material RDX under Shock Loading: Role of Defects
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Abstract
We use the recently developed reactive force field ReaxFF with molecular dynamics (MD) to study the role of voids on the initial chemical events in the high-energy material RDX under shock loading. We find that for strong shocks (particles velocity of 3 km/s) very small gaps (2 nm) lead to important over-heating (~ 1000 K). This over-heating facilitates chemical reactions and leads to a larger production of small molecules (such as NO2, NO, OH) than in perfect crystals shocked with the same strength. The chemical reactions occur after the void has collapsed and the ejected material re-compressed rather than when hot molecules are ejected out of the downstream surface.
Additional Information
© 2004 American Institute of Physics. Issue Date: 20 July 2004. A.S. thanks B.L. Holian, T.C. Germann and E.M. Kober for helpful discussions. Work at Los Alamos was supported by the ASC Materials and Physics Modeling program. Work at Caltech was supported by DOE-ASC-ASAP and ONR (Judah Goldwasser).Attached Files
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Additional details
- Eprint ID
- 12358
- Resolver ID
- CaltechAUTHORS:STRAaipcp04
- Department of Energy (DOE)
- Office of Naval Research (ONR)
- Los Alamos National Laboratory
- Created
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2008-11-13Created from EPrint's datestamp field
- Updated
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2021-11-08Created from EPrint's last_modified field
- Series Name
- American Institute of Physics Conference Proceedings
- Series Volume or Issue Number
- 706