A continuing objective in the area of energetic materials is to reduce sensitivity toward impact and shock. One approach is to develop a better understanding of how factors related to the crystal lattice, e.g., defects, influence the initiation and propagation of detonation. Molecular dynamics is a useful tool for this purpose. This paper presents an overview of molecular dynamics treatments of energetic solids. Some of these have simulated initiation and propagation in idealized systems; others have focused on developing a satisfactory procedure for describing molecular crystals of practical significance. Our emphasis in this discussion is on the progress that has been made along the second lines.
Bibliographical noteFunding Information:
We greatly appreciate the financial support provided by the Office of Naval Research, Program Officer Dr. Judah Goldwasser, through contract N00014-99-1-0393.
- Energetic solids
- Molecular dynamics simulations