Atomic insights into the thermal decomposition mechanism and cluster growth law of nanoscale HMX and LLM-126 mixture: A ReaxFF-lg molecular dynamics study
In this paper, the thermal decomposition process and cluster growth law of the HMX/LLM-126 nanoscale mixture system were studied by ReaxFF-lg combined with DFT, and the thermostability of the mixture system with a molar ratio of 1:1 was investigated. The results show that clusters can be formed betw...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co. Ltd.
2023-09-01
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| Series: | FirePhysChem |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667134423000214 |