AtomWorld-Mirror: Macro-Step World Modeling of Critical Evolution Backbones for Materials Dynamics

Key points

• Atomistic simulation is a fundamental tool for studying long-term materials evolution, from diffusion and defect dynamics to interfacial reactions and fracture.1
• For Step-Wise atomistic simulation, AtomWorld-Mirror distills short micro-event segments into physically reachable transitions between key states, jointly predicting sparse structural edits and accumulated physical time through latent macro-step dynamics.1
• By amortizing local atomic physics into a reusable latent macro model and replacing explicit micro-event replay with macro-step inference, this formulation provides a path toward substantially faster prediction of long-term materials evolution while preserving structural validity and time semantics.1
• Across five atomic systems, spanning Cu-rich RPV steel irradiation aging, Cu-Zr metallic glass, and Li$3$N-based anti-perovskite solid electrolyte, macro-step inference delivers a speed up of $10^3$ to $10^4$ times over event-by-event simulation.1

Sources (1)

• [1]AtomWorld-Mirror: Macro-Step World Modeling of Critical Evolution Backbones for Materials Dynamics
  arXiv (AI, ML, NLP, CV, robotics, multi-agent) · Oct 8, 08:56 AM

  We propose AtomWorld-Mirror, a time-aware macro-step world model for the critical evolution backbone of atomic systems.

  Atomistic simulation is a fundamental tool for studying long-term materials evolution, from diffusion and defect dynamics to interfacial reactions and fracture.

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