Publications Details

Physics-Driven Modeling of Detonation Soot Nascency and Growth

Omana, Michael A.; Hammond-Clements, Adam L.; Chandross, Michael E.; Winter, Ian S.; Velizhanin, Kirill A.; Huber, Rachel C.; Willey, Trevor M.; Nielsen, Michael H.

We present a physics-driven modeling framework for early-time detonation soot formation, integrating hydrodynamic flow simulations and particle growth simulations to predict particle dynamics. Validated against SAXS data, our model supports diffusion-limited growth. Molecular dynamics simulations provide diffusion rates to keep particle models species-informed. The methodology is tested on a gram-scale colliding-wave explosive geometry to explore sensitivity of particle fusion to temperature and initial size. This modeling framework, decoupled from empirical methods, enhances predictive capabilities in explosive soot modeling.