Destruction of Computer Chip by Combustion of Al-SiO2-Fe2O3 Composite Thermites Combining Molecular Dynamic Simulation

BC Chen and Y Wang and JC He and XL Song and CW An, COMBUSTION SCIENCE AND TECHNOLOGY (2025).

DOI: 10.1080/00102202.2025.2497064

This article uses a combination of experimental and simulation methods for mutual verification to explore the possibility of nano aluminum thermite damaging chips and disrupting circuit systems. In terms of experiments, Fe2O3/SiO2/Al and SnO2/SiO2/Al aluminum thermites were prepared by physically mixing micro Al powder, nano SiO2, and nano metal oxide powder in a certain proportion. The binder was added and pressed into a charge column for ignition testing. The prepared aluminum thermite was characterized and its performance was tested using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), X-ray photoelectron spectroscopy(XPS), and constant pressure combustion experiments.In terms of molecular dynamics simulation, Materials Studio software was used to investigate the interaction relationships between atoms in the aluminum thermite. The reaction process and properties of the aluminum thermite under adiabatic conditions at different initial temperatures were explored from the perspectives of potential energy, radial distribution function, mean square displacement, and self diffusion coefficient. The simulation results were compared with experimental reaction phenomena. The results show that the aluminum thermite prepared by physical method is uniformly mixed, various materials are fully adhered, well dispersed, and there is no agglomeration phenomenon. In terms of combustion performance, the overall performance of Fe2O3/SiO2/Al thermite is better than that of SnO2/SiO2/Al thermite, with higher combustion efficiency, higher reaction temperature, and the ability to maintain high temperature for a longer period of time. The combustion of Fe2O3/SiO2/Al aluminum thermite is more complete, and the reaction generates more elemental Si, which plays a positive role in the damage of chips. In terms of molecular dynamics simulation, the aluminum thermal reaction of Fe2O3/SiO2/Al at different initial temperatures is more stable, with a faster energy release rate and a higher total energy content than SnO2/SiO2/Al. The aluminum thermal reaction generates oxides of elemental Fe/Sn, Si, and Al. Overall, the diffusion coefficients of both aluminum thermites increase with the increase of initial temperature, and the intensity of the reaction also increases with the increase of initial temperature. Temperature has an accelerating effect on their diffusion, and SnO2/SiO2/Al has stronger diffusion ability than Fe2O3/SiO2/Al. The Fe2O3/SiO2/Al aluminum thermite has a better damage effect on chips, and the simulation and experimental results are consistent.

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