Comparative studies on structures, mechanical properties, sensitivity, stabilities and detonation performance of CL-20/TNT cocrystal and composite explosives by molecular dynamics simulation
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3455-0
Abstract: To investigate and compare the differences of structures and properties of CL-20/TNT cocrystal and composite explosives, the CL-20/TNT cocrystal and composite models were established. Molecular dynamics simulations were performed to investigate the structures, mechanical properties,… read more here.
Keywords: detonation performance; energy; tnt cocrystal; model ... See more keywords
Chemical Insight on Decreased Sensitivity of CL-20/TNT Cocrystal Revealed by ReaxFF MD Simulations
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DOI: 10.1021/acs.jcim.8b00952
Abstract: Understanding the underlying mechanisms on sensitivity-decrease of the CL-20/TNT cocrystal is essential for wide applications of the promising high-energetic CL-20. This work presents the chemical scenario of CL-20/TNT thermolysis obtained from ReaxFF molecular dynamics simulations.… read more here.
Keywords: sensitivity tnt; tnt; sensitivity; tnt cocrystal ... See more keywords
Mechanism of the Impact-Sensitivity Reduction of Energetic CL-20/TNT Cocrystals: A Nonequilibrium Molecular Dynamics Study
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DOI: 10.3390/polym15061576
Abstract: High-energy low-sensitivity explosives are research objectives in the field of energetic materials, and the formation of cocrystals is an important method to improve the safety of explosives. However, the sensitivity reduction mechanism of cocrystal explosives… read more here.
Keywords: sensitivity; impact; molecular dynamics; tnt cocrystal ... See more keywords