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...