An Interaction Potential for Atomic Simulations of Conventional High Explosives (2008)
Heim, Andrew J., Gronbech-Jensen, Niels, Kober, Edward M., Erpenbeck, Jerome J., Germann, Timothy C.
In an effort to develop a chemically reactive interaction potential suitable for application to the study of conventional, organic explosives, we have modified the diatomic AB potential of Brenner et...
Molecular Dynamics Simulations of Detonation Instability (2008)
Heim, Andrew J., Gronbech-Jensen, Niels, Kober, Edward M., Germann, Timothy C.
After making modifications to the Reactive Empirical Bond Order potential for Molecular Dynamics (MD) of Brenner et al. in order to make the model behave in a more conventional manner, we discover...
The Influence of Interatomic Bonding Potentials on Detonation Properties (2006)
Heim, Andrew J., Grønbech-Jensen, Niels, Germann, Timothy C., Kober, Edward M., Holian, Brad Lee, Lomdahl, Peter S.
The dependence of macroscopic detonation properties of a two-dimensional diatomic (AB) molecular system on the fundamental properties of the molecule were investigated. This includes examining the...