Thermal Decomposition Mechanism of CL-20 at Different Temperatures by ReaxFF Reactive Molecular Dynamics Simulations

Hexanitrohexaazaisowurtzitane (CL-20) has a high detonation velocity and pressure, but its sensitivity is also high, which somewhat limits its applications. Therefore, it is important to understand the mechanism and characteristics of thermal decomposition of CL-20. In this study, a ε-CL-20 supercel...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.3971-3979
Hauptverfasser:	Wang, Fuping, Chen, Lang, Geng, Deshen, Wu, Junying, Lu, Jianying, Wang, Chen
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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