Atomic- And Molecular-Scale Simulations And Analysis Of Shock, Shear, And Adiabatic Compression In Energeticcrystals And Assemblies Containing Them

Abstract

We propose to perform and analyze molecular dynamics (MD) simulations of weak tomoderately strong mechanical shock and ramp wave loading in molecular high-explosivecrystals and interfacial structures containing them. Exploring how the fundamental nonequilibriumexcitation and relaxation processes that follow shock passage depend on moleculartopology, crystal structure, and shock wave orientation will contribute to understandingnanoscale energy localization, inelastic deformation/damage accumulation, and the origins ofintrinsic shock sensitivity of molecular energetic materials.

Document Details

Document Type
DoD Grant Award
Publication Date
Dec 05, 2016
Source ID
FA95501610437

Entities

People

  • Thomas Sewell

Organizations

  • Air Force Office of Scientific Research
  • United States Air Force
  • University of Missouri System

Tags

Fields of Study

  • Physics

Readers

  • Combustion Dynamics and Shock Wave Physics.
  • Computational Fluid Dynamics (CFD)
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.