Multimillion Atom Simulations of Nanoenergetic Materials

Abstract

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.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2014
Accession Number
ADA615594

Entities

People

  • Aiichiro Nakano
  • Priya Vashishta
  • Rajiv K. Kalia

Organizations

  • University of Southern California

Tags

Communities of Interest

  • Advanced Electronics
  • Air Platforms
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Aluminum Oxides
  • Chemical Engineering
  • Chemical Reactions
  • Chemistry
  • Combustion
  • Computational Chemistry
  • Density Functional Theory
  • Energetic Materials
  • Heat Transfer
  • Materials Processing
  • Materials Science
  • Mechanical Properties
  • Metallic Nanoparticles
  • Molecular Dynamics
  • Nanoenergetics
  • Nanoparticles
  • Temperature Gradients

Fields of Study

  • Physics

Readers

  • Nanoscale Plasmonic Nanotechnology
  • Quantum Chemistry
  • Technical Research and Report Writing.

Technology Areas

  • Biotechnology
  • Microelectronics