The light/impact sensitive orientations of energetic material dihydroxyl ammonium 5,5 '-bistetrazole-1,1 '-diolate (TKX-50) from first-principles calculations

Yun-Dan Gan,Ding Wei,Fu-Sheng Liu,Bin Tang,Cheng-Lu Jiang,Qi-Jun Liu

Results in Physics（2020）

Cited 4|Views0

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Abstract

•Electronic, phonon and mechanical properties of TKX-50 have been calculated.•Optically sensitive orientations appear in [1 0 0] and [0 1 0] directions.•The direction [1 1 0] is a sensitive orientation for TKX-50 under impact.

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Key words

TKX-50,Sensitivity,Phonons

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