Shock waves in high-energy materials: the initial chemical events in nitramine RDX.

@article{Strachan2003ShockWI,
  title={Shock waves in high-energy materials: the initial chemical events in nitramine RDX.},
  author={Alejandro Strachan and Adri C T van Duin and Debashis Chakraborty and Siddharth Dasgupta and William A Goddard},
  journal={Physical review letters},
  year={2003},
  volume={91 9},
  pages={
          098301
        }
}
  • Alejandro Strachan, Adri C T van Duin, +2 authors William A Goddard
  • Published in Physical review letters 2003
  • Medicine, Physics
  • We extend the reactive force field ReaxFF to describe the high energy nitramine RDX and use it with molecular dynamics (MD) to study its shock-induced chemistry. We studied shock propagation via nonequilibrium MD simulations at various collision velocities. We find that for high impact velocities (>6 km/s) the RDX molecules decompose and react to form a variety of small molecules in very short time scales (<3 ps). These products are consistent with those found experimentally at longer times… CONTINUE READING

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