Molecular Dynamics Studies of Energy Transfer Processes in Crystal Systems.
Abstract
Computer molecular dynamics studies have been carried out on the problem of attaining a fundamental understanding of shock-induced initiation of energetic materials. The studies focus on an important specific facet of this problem, namely, the energy transfer processes in crystal systems, particularly in molecular lattices. Code development for the CRAY computer during the preceding year is reviewed and the shock studies that were carried out are listed. Plans for additional studies of the underlying mechanisms of intermolecular-intramolecular energy transfer and the dynamics of intramolecular energy exchange in shock-loaded systems are presented. Originator-supplied keywords include: Molecular dynamics, Energy transfer, Shock front, Shock wave, Explosives, Shock structure.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 30, 1984
- Accession Number
- ADA150161
Entities
People
- A. M. Karo
- F. E. Walker
Organizations
- Lawrence Livermore National Laboratory