Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics

• Published in: The Journal of Physical Chemistry C
• Main Authors: An, Qi, Zybin, Sergey V., Kim, Hyungjun, Goddard, William A., III
• Format: Article in Journal/Newspaper
• Language: unknown
• Published: American Chemical Society 2012
• Subjects: Arctic; Bedford
• Online Access: https://doi.org/10.1021/jp300711m

We applied the compress-and-shear reactive dynamics (CS-RD) simulation model to study the anisotropic shock sensitivity of cyclotrimethylene trinitramine (RDX) crystals. We predict that, for mechanical shocks between 3 and 7 GPa, RDX is most sensitive to shocks perpendicular to the (100) and (210) p...