Multimillion Atom Simulations of Nanoenergetic Materials
Technical rept. Dec 2006-Dec 2009
UNIVERSITY OF SOUTHERN CALIFORNIA LOS ANGELES DEPT OF COMPUTER SCIENCE
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This final product describes the work performed at USC in fulfillment of a research project for DTRA. The objective is to perform first-principles based and experimentally validated, atomistic simulations of reactive nanosystems involving multi million atoms to achieve atomistic-level understanding and predictive power for designing advanced and insensitive nanostructured energetic materials. The study will focus on reactive and mechanical behavior of Al nanoparticles as well as thermo-mechanical properties and atomistic mechanisms of detonation of nanostructured materials consisting of Al nanoparticles encapsulated in nanophase RDX and oxidizers.
- Properties of Metals and Alloys
- Atomic and Molecular Physics and Spectroscopy
- Quantum Theory and Relativity