Now showing items 1-3 of 3
Formation of the N (NO) N (NO) polymer at high pressure and stabilization at ambient conditions
(National Academy of Sciences, 2013)
A number of exotic structures have been formed through high-pressure chemistry, but applications have been hindered by difficulties in recovering the high-pressure phase to ambient conditions (i.e., one atmosphere and 300 ...
Large-scale molecular simulations of hypervelocity impact of materials
We describe the application of the ReaxFF reactive force field with short-range distance-dependent exponential inner wall corrections and the non-adiabatic electron Force Field (eFF) for studying the hypervelocity impact ...
Highly shocked polymer bonded explosives at a nonplanar interface: Hot-spot formation leading to detonation
(American Chemical Society, 2013)
We report reactive molecular dynamics simulations using the ReaxFF reactive force field to examine shock-induced hot-spot formation followed by detonation initiation in realistic (2.7 million atoms) models of polymer bonded ...