Detonation Calibration Framework for High Explosives

Condensed phase high explosives (HEs) are modeled and simulated over a wide range of conditions and applications, which necessitate specific modeling considerations ranging from phenomenological models to full detailed chemistry. Of particular interest are program burn (PB) and reactive burn (RB) models for detonation performance. PB models include timing components such as detonation shock dynamics, together with their associated energy release components such as velocity-adjusted JWL. Reactive burn (RB) models include both reactant and product equations of state and finite reaction rate models that govern the conversion of reactants into products. Additionally, pseudo-reaction zone (PRZ) models represent a half-measure between PB and RB burn, and provide robust models for large scale simulations. Here, we present a framework for calibrating PB, RB and PRZ models and their components using a consistent computational environment, i.e. our modeling team's High Explosive Detonation Calibration And Parameterization Environment (HEDCAPE). This is built in two stages — a highly parallelized backend for hydro-simulations and material models written in Fortran 2003, and a class-based Python user-facing front-end for driving the backend and creating simple, readable calibration and run scripts. A custom Python protocol interface provides a robust and safe platform for calibrating detonation models, while also accounting for the creation of highly bespoke models and methods for specific needs. This work demonstrates our full pipeline from processing experimental data records, to data analysis and calibration of HE detonation models, and finally to deployment of such models.