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Thermal Decomposition Mechanism of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane Accelerated by Nano-Aluminum Hydride (AlH(3)): ReaxFF-Lg Molecular Dynamics Simulation

[Image: see text] ReaxFF-low-gradient reactive force field with CHONAl parameters is used to simulate thermal decomposition of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and AlH(3) composite. Perfect AlH(3) and surface-passivated AlH(3) particles were constructed to mix with HMX. The simulation re...

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Detalles Bibliográficos
Autores principales:	Zhao, Ying, Mei, Zheng, Zhao, Feng-Qi, Xu, Si-Yu, Ju, Xue-Hai
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7495736/ https://www.ncbi.nlm.nih.gov/pubmed/32954170 http://dx.doi.org/10.1021/acsomega.0c02968

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