Thermal Decomposition of Core–Shell-Structured RDX@AlH3, HMX@AlH3, and CL-20@AlH3 Nanoparticles: Reactive Molecular Dynamics Simulations
Year: 2024
Type: article
Abstract: The reactive molecular dynamics method was employed to examine the thermal decomposition process of aluminized hydride (AlH3) containing explosive nanoparticles with a core–shell structure under high temperature. The core was composed of the explosives RDX, HMX, and CL-20, while the shell was composed of AlH3. It was demonstrated that the CL-20@AlH3 NPs decomposed at a faster rate than the other NPs, and elevated temperatures could accelerate the initial decomposition of the explosive molecules. The incorporation of aluminized hydride shells did not change the initial decomposition mechanism of the three explosives. The yields of the main products (NO, NO2, N2, H2O, H2, and CO2) were investigated. There was a large number of solid aluminized clusters produced during the decomposition, mainly AlmOn and AlmCn clusters, together with AlmNn clusters dispersed in the AlmOn clusters.
Source: Nanomaterials
DOI: 10.3390/nano14221859
Authors: Zijian Sun, Lei Yang, Hui Li, Mengyun Mei, Lixin Ye, Jiake Fan, Weihua Zhu
Institution: Nanjing University of Science and Technology
Language: English
Subfield: Mechanics of Materials
Field: Engineering
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,296
OpenAlex ID: W4404595463