Lalit Patidar

Apr 1, 2026ArticleEN

Series: energetic-materials-research

From Molecule to Flame: Building a Complete Combustion Model for HMX

Starting from quantum mechanics calculations of individual bond-breaking events and ending with a model that correctly predicts burn rates across pressures — this is the story of assembling a first-principles combustion model for HMX, and what it took to make the pieces fit together.

#combustion #energetic-materials #hmx #kinetic-modeling

Apr 1, 2026ArticleEN

Series: energetic-materials-research

What Happens in the First Microseconds: Using Quantum Mechanics to Map How RDX and HMX Begin to Decompose

Before you can model or predict the combustion of an energetic material, you have to know what actually happens at the molecular level when it starts to break down. This is the story of using quantum mechanics calculations to answer that question for RDX and HMX — two of the most important explosives and propellant ingredients in use today.

#combustion #energetic-materials #quantum-mechanics #chemical-kinetics