Multi-AI agent framework reveals the “oxide gatekeeper” in aluminum nanoparticle oxidation
Aluminum nanoparticles (ANPs) are among the most energy-dense solid fuels, yet the atomic mechanisms governing their transition from passivated particles to highly reactive states remain elusive. This stems from a fundamental computational bottleneck: Ab initio methods offer quantum-level fidelity but are restricted to...
Yiming Lu, Tingyu Lu, Di Zhang et al.
· Proceedings of the National... · 0 citations