Reactive molecular dynamics simulations on the thermal decompositions and oxidations of TKX-50 and twinned TKX-50

作者: Jing Li , Shaohua Jin , Guanchao Lan , Shusen Chen , Qinghai Shu

DOI: 10.1039/D0CE00199F

关键词:

摘要: … ReaxFF reactive molecular dynamics simulations have been … In this study, the ReaxFF reactive molecular dynamics … H 2 O, NO 2 , and CO 2 molecules occurs during the whole oxidation …

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