Shocked energetic molecular materials: Chemical reaction initiation and hot spot formation

M. D. Fayer, Andrei Tokmakoff, Dana D. Dlott

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A theoretical model is developed to describe multiphonon up-pumping of internal vibrations. The dominant mechanism for up-pumping is anharmonic coupling of excited phonon modes with low frequency molecular vibrations, termed doorway modes. Quantitative calculations were performed which show the extent and rate of multiphonon up-pumping caused by shock excitation. The time dependence of chemical reactivity behind the front is calculated using reaction rate laws for the decomposition of nitramine explosives. A mechanism for hot spot formation, based on defect induced local increases in anharmonic coupling, is discussed.

Original languageEnglish (US)
Title of host publicationStructure and Properties of Energetic Materials
PublisherPubl by Materials Research Society
Pages379-384
Number of pages6
ISBN (Print)1558991913
StatePublished - 1993
Externally publishedYes
EventSymposium on Atomic-scale Imaging of Surfaces and Interfaces -
Duration: Nov 30 1992Dec 2 1992

Publication series

NameMaterials Research Society Symposium Proceedings
Volume296
ISSN (Print)0272-9172

Other

OtherSymposium on Atomic-scale Imaging of Surfaces and Interfaces
Period11/30/9212/2/92

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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