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Reactive nanojets: Nanostructure-enhanced chemical reactions in a defected energetic crystal
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View: Figures


Image of FIG. 1.
FIG. 1.

(Color) Snapshots of velocity distribution of RDX molecules at [(a)–(c)] and [(d)–(f)]. Arrows are color coded by the magnitude of velocity. At , the shock front is pinned at the void and bends . Molecular velocity goes as high as . At , depinning of the shock front is observed . Jet molecules are accelerated to nearly before they strike the downstream. The yellow dotted-lines indicate the positions of the shock fronts.

Image of FIG. 2.
FIG. 2.

(Color) Distribution of vibrational temperature around the void at (a) and (b). We observe a hemispherical hotspot (a) and a conical hotspot (b). The vibrational modes are well localized at , whereas they propagate with the shock front at .

Image of FIG. 3.
FIG. 3.

(Color) Number of molecular fragments near the void surface as a function of time at . The pictures along fragment curves show the time variation of molecular configurations within from the void surface at . For clarity, slice of the analyzed area is shown. As the void collapses, two distinct reaction regimes are observed. From the arrival of the shock wave until the void closure , a rapid production of is observed. Shortly after that when molecules strike the downstream wall , various chemical products such as , , and HONO are produced.

Image of FIG. 4.
FIG. 4.

(Color) Fragment distributions around the void. (a) distribution at projected on the (100) plane. (b) and distributions at are projected on the (001) plane. Atoms are selected from the void surface at and color coded as blue (nitrogen), red (oxygen), and white (hydrogen), respectively. Dotted line is added to show the envelope of molecular configurations at each time.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Reactive nanojets: Nanostructure-enhanced chemical reactions in a defected energetic crystal