Reaction mechanism of aluminum nanoparticles in explosives under high temperature and high pressure by shock loading

Yang, Kaiyuan; Chen, Lang; Lu, Jianying; Geng, Deshen; Wu, Junying

doi:10.1039/d2cp01424f

Cited by 6 publications

(4 citation statements)

References 42 publications

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“…The shock wave can be implicitly generated through the interaction of the sample with a momentum mirror plane. The momentum mirror method has been applied in studying dynamics for hot‐spot initiation in PBX explosives under shock [29], mechanism of the initial crystal‐structure transformation and the subsequent diffusion reaction of the ANPs under shock loadings [35]. Figure 2 illustrates the scheme of the momentum mirror method, where U p represents the particle velocity, U s represents the velocity of shock wave.…”

Section: Methodsmentioning

confidence: 99%

“…It is essential to consider the shock pressure in studies focusing on the reaction mechanism. Yang et al [35] in MD simulation. The Al particles are nano-particles and directly mixed with CL-20.…”

Section: Introductionmentioning

confidence: 99%

“…Molecular dynamics (MD) simulation method is a powerful supplement to theoretical calculations and experiments. It has been widely used to study the activation reaction mechanism of Al particles under ignition, combustion, and detonation conditions in RDX systems [5,[30][31][32][33][34][35]. Al particles are typical core-shell structures, and the shell structure not only affects the physical properties of aluminum particles [36,37], but also has a significant impact on the activation and reaction of Al particles [38][39][40].…”

Section: Introductionmentioning

confidence: 99%

“…Yang et al. [35] initiated the 2,4,6,8,10,12‐Hexanitro‐2,4,6,8,10,12‐hexaazatetracyclo (CL‐20) based aluminized explosive by applying shock boundary conditions in MD simulation. The Al particles are nano‐particles and directly mixed with CL‐20.…”

Section: Introductionmentioning

confidence: 99%

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Activation and reaction mechanism of nano‐aluminized explosives under shock wave

Wang,

Xiao,

Chen

et al. 2024

Propellants Explo Pyrotec

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To investigate the effect of aluminum (Al) nanoparticles on the energy release mechanism of high explosives, a comprehensive analysis was conducted on the mechanical response and chemical reaction mechanism of pure 1,3,5‐Trinitro‐1,3,5‐triazinane (RDX) and nano‐aluminized RDX across varying particle velocities using molecular dynamics simulation. The simulation results show that the velocity of the shock wave which is formed in the explosive increases as the velocity of the particle increases. Notably, detonation was absent when the particle velocity was below 3 km/s, but prominently observed beyond this threshold, accompanied by a diminishing delay in reaction time for aluminum particles as particle velocity increased. After detonation, a localized pressure reduction behind aluminum particles was observed, elucidating the diminished detonation efficacy of aluminized explosives. Furthermore, the introduction of aluminum particles led to a deceleration in the RDX reaction rate, with the emergence of aluminum atomic clusters highlighting previously overlooked gas‐phase reactions that necessitate inclusion in detonation modeling for aluminized explosives.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%