Insensitivity-by-Design: An Atomistic-to-mesoscale Framework for Evaluation of IM-Compliant Energetic Ingredients
Abstract
A long-standing challenge in the energetics materials (EM) community is translating the advancement in synthesis capabilities and simulation tools into actionable knowledge for developing high-performance IM-compliant ingredients. Connecting synthesis-processing andsimulations in a meaningful manner remains a challenge. Synthetic chemists and engineeringscale practitioners stress the important role of synthesis and processing parameters. Controllingthe defect densities, crystal size and packing using combination of binders can be tremendouslyeffective in improving insensitivity. Intuition-guided synthesis often produce many potentialcandidates. There is no clear methodology to guide further investment or testing to create apipeline of potential IM ingredients with some framework to judge relative merits and demerits.A closed-loop approach is proposed which can identify optimized insensitivity and performanceof potential insensitive crystals (as-synthesized or generated using computational approach) andprovide guidance to the synthetic chemists to develop successful IM-compliant ingredients.Simulations can play a key bridging role in informing the molecular design andsynthesis/processing objectives. This approach has the potential to create a low-cost pipeline toidentify candidates for further investment in scale up and testing.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jul 11, 2018
- Source ID
- FA95501810236
Entities
People
- Santanu Chaudhuri
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of Illinois Urbana–Champaign