Molecular Dynamics Simulation of Magnesium/Teflon/Viton Pyrotechnic Composition as a Solid Rocket Motor Ignitor

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Copyright ©2025 by the International Astronautical Federation (IAF). All rights reserved.Magnesium/Teflon/Viton (MTV) compositions are extensively used as pyrotechnic igniters in solid rocket motors due to their high energy content and reliability. However, the influence of extreme temperature and pressure conditions on their energy release has not been thoroughly investigated. This study utilizes reactive force field (ReaxFF) molecular dynamics (MD) simulations to assess the performance of a 65:30:05 MTV composition under a range of ignition conditions (2000-4000 K and 1-1000 atm). The objective was to quantify the thermal output and elucidate the decomposition pathways under these varying operational parameters. The simulations revealed a significant inverse correlation between temperature and energy release, with the mean thermal output decreasing by 22.5% from 18856.86 J/g at lower temperatures (2000-2500 K) to 14613.33 J/g at higher temperatures (3500-4000 K). Conversely, pressure variations within the tested range did not have a statistically significant effect on the thermal output. Despite the reduction in energy release at higher temperatures, the composition consistently produced sufficient thermal output to meet the requirements for rocket motor ignition across all simulated scenarios.

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