Properties of Three-Dimensional Energetic Solids and Molecular Crystals.
Abstract
This project is designed to investigate a wide range of phenomena related to energetic materials in their solid phase and also on other molecular solids which serve as prototypes. These studies are entirely theoretical in nature and are employing exclusively non-parametric ab-initio techniques. In the case of solid fuels or explosives the area of prime concern is the initiation of combustion or detonation. This may be accomplished by means of shock, or of high temperature or both. Thus we need to be able to study these systems under extreme conditions of temperature or pressure. In order to accomplish this objective it is necessary to extend the normal solid state methods employed for studying the electronic or vibronic structures as such theories are essentially T = O theories.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1982
- Accession Number
- ADA124944
Entities
People
- A. Barry Kunz
- Asim K. Ray
- D. R. Beck
- R. S. Weidman
- T. O. Woodruff
Organizations
- Michigan Technological University