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A Theoretical Study on the Decomposition of TKX-50 with Different Vacancy Defect Concentrations under Shock Wave Loading

Energetic Materials Frontiers(2025)

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关键词
Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50),Vacancy defect,Shock wave loading,Ab initio molecular dynamics,Multiscale shock technique
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