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Heat- and Shock-Induced Pyrolysis of Crystalline and Amorphous TNT Revealed by ReaxFF-lg Simulations

Shuangfei Zhu, Chaowen Yang, Junjun Zhao,Shuhai Zhang,Ruijun Gou, Yang Liu,Yahong Chen

CHEMICAL PHYSICS（2025）

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Key words
Crystalline,Amorphous,TNT,Decomposition mechanism,Reaxff-lg
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