Initial Decomposition of Condensed-Phase 1,3,5-Triamino-2,4,6-trinitrobenzene under High Temperature

Autor:	Song Wu, Ni-Na Ge, Jiao-Hu Huang, Yong Jiang
Rok vydání:	2020
Předmět:	Chemical process chemistry.chemical_compound Molecular dynamics Materials science Physics and Astronomy (miscellaneous) chemistry Chemical physics TATB Phase (matter) Charge (physics) Quantum Decomposition
Zdroj:	Journal of Energetic Materials. 40:82-98
ISSN:	1545-8822 0737-0652
Popis:	We have performed quantum-based molecular dynamics (MD) simulations to investigate the initial chemical processes of the TATB under different temperatures. A self-consistent charge density-function...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::784d0c52fe55e5adc3772cb8369abba7 https://doi.org/10.1080/07370652.2020.1830200 Zobrazit plný text záznamu