Learning Multiscale Dynamics of Nanoparticle Self-Assembly
Nanoparticle self-assembly offers a powerful route to programmable functional materials, but its dynamics remain difficult to understand because they arise from multiscale, many-body, and environment-dependent interactions. Liquid-phase transmission electron microscopy (LPTEM) enables real-time observation of these dynamics, yet extracting the underlying physical laws from highly stochastic trajectories remains a significant challenge. Here we develop a physics-informed, time-varying autoregressive framework that learns multiscale self-assembly dynamics directly from LPTEM videos. Continuous Eulerian fields with local density and orientational order are coarse-grained from individual video frames and evolved by a sparse, nearest-neighbor operator optimized over a constrained matrix manifold. This interpretable approach captures long-time large scale phase transitions by tracking operator volatility over time, and short-timescale local evolution and transport rules. Crucially, we extract the underlying partial differential equations, where expected symmetries naturally emerge, enabling the direct inference of fundamental coefficients. Our framework provides a robust, computationally efficient tool for discovering hidden physical mechanisms from observational data, opening a path toward the predictive design of self-assembled nanostructures.
Authors
- Jonas Hällström (ORCID: https://orcid.org/0000-0003-0829-3349)
- Paul Bogdan (ORCID: https://orcid.org/0000-0003-2118-0816)
- Puquan Pan
- Nicholas Kotov (ORCID: https://orcid.org/0000-0002-6864-5804)
- Xiaoming Mao
- Qian Chen
- Shuaifeng Li
Publication Details
- Journal
- arXiv (Cornell University)
- Published
- 2026-10-27
- DOI
- https://doi.org/10.48550/arxiv.2610.36498
- Primary Topic
- Model Reduction and Neural Networks
- Type
- preprint