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Scalable Autoregressive Deep Surrogates for Dendritic Microstructure Dynamics

Materials Science 2025-11-07 v1

Abstract

Microstructural pattern formation, such as dendrite growth, occurs widely in materials and energy systems, significantly influencing material properties and functional performance. While the phase-field method has emerged as a powerful computational tool for modeling microstructure dynamics, its high computational cost limits its integration into practical materials design workflows. Here, we introduce a machine-learning framework using autoregressive deep surrogates trained on short trajectories from quantitative phase-field simulations of alloy solidification in limited spatial domains. Once trained, these surrogates accurately predict dendritic evolution at scalable length and time scales, achieving a speed-up of more than two orders of magnitude. Demonstrations in isothermal growth and in directional solidification of a dilute Al-Cu alloy validate their ability to predict microstructure evolution. Quantitative comparisons with phase-field benchmarks further show excellent agreement in the tip-selection constant, morphological symmetry, and primary spacing evolution.

Keywords

Cite

@article{arxiv.2511.03884,
  title  = {Scalable Autoregressive Deep Surrogates for Dendritic Microstructure Dynamics},
  author = {Kaihua Ji and Luning Sun and Shusen Liu and Fei Zhou and Tae Wook Heo},
  journal= {arXiv preprint arXiv:2511.03884},
  year   = {2025}
}
R2 v1 2026-07-01T07:23:37.782Z