Accession Number : ADA291456

Title :   Quantum Dynamical Studies of the Decomposition of Energetic Materials Containing Defect Structures.

Descriptive Note : Final technical rept. 1 Dec 92-30 Nov 94,

Corporate Author : PRINCETON UNIV NJ DEPT OF CHEMISTRY

Personal Author(s) : Rabitz, Herschel

PDF Url : ADA291456

Report Date : 23 FEB 1995

Pagination or Media Count : 9

Abstract : During the period of this project, fundamental research was carried out in the area of chemical reactivity at the surface of solid materials. Emphasis was also placed on the underlying energetic transfer processes to the bulk material due to atomic and molecular fragment impacts at the interface. A fully quantum multiple collision theory approach was developed to study energetic materials reactivity, and a discrete-continuum hybrid theory for energy transfer was formulated. A series of model studies were executed with the theoretical formulations. The results revealed many of the basic principles of reactivity and energy transfer operative at interfaces or found in the propagating fronts of energetic materials. The specific research carried out under this grant is summarized in the report. jg

Descriptors :   *COMPOSITE MATERIALS, *QUANTUM THEORY, *STRUCTURES, *DEFECTS(MATERIALS), *ENERGETIC PROPERTIES, *DECOMPOSITION, IMPACT, MODELS, INTERACTIONS, DYNAMICS, MOLECULES, MATERIALS, FORMULATIONS, REACTIVITIES, ENERGY TRANSFER, SOLIDS, BULK MATERIALS, GASES, CHEMICAL REACTIONS, FRAGMENTS, ELEMENTARY PARTICLES.

Subject Categories : Laminates and Composite Materials
      Physical Chemistry
      Atomic and Molecular Physics and Spectroscopy
      Quantum Theory and Relativity

Distribution Statement : APPROVED FOR PUBLIC RELEASE