Multi-head neural operator for modeling interfacial dynamics
Abstract
Interfacial dynamics, governed by stiff and time-dependent nonlinear PDEs, play a central role in phenomena such as phase transitions, microstructure evolution, pattern formation, and thin-film growth. Solving these PDEs efficiently remains challenging due to multiscale behavior and the high computational cost of traditional numerical methods. In this work, we introduce the Multi-Head Neural Operator (MHNO), an extended neural operator framework specifically designed to address the temporal challenges associated with solving time-dependent PDEs. Unlike existing neural operators, which either struggle with error accumulation or require substantial computational resources, MHNO employs a novel architecture with time-step-specific projection operators and explicit temporal connections inspired by message-passing mechanisms. This design allows MHNO to predict all time steps after a single forward pass, while effectively capturing long-term dependencies and avoiding parameter overgrowth. We apply MHNO to solve various phase field equations, including antiphase boundary motion, spinodal decomposition, pattern formation, atomic scale modeling, and molecular beam epitaxy growth model, and compare its performance with existing NO-based methods. Our results show that MHNO achieves superior accuracy, scalability, and efficiency, demonstrating its potential as a next-generation computational tool for phase field modeling.
Details
- Organisation(s)
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Computational Science and Simulation Technology
- External Organisation(s)
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Bauhaus-Universität Weimar
Tsinghua University
Tongji University
- Type
- Article
- Journal
- International Journal of Mechanical Sciences
- Volume
- 317
- ISSN
- 0020-7403
- Publication date
- 01.05.2026
- Publication status
- Published
- Peer reviewed
- Yes
- ASJC Scopus subject areas
- Civil and Structural Engineering, General Materials Science, Aerospace Engineering, Condensed Matter Physics, Ocean Engineering, Mechanics of Materials, Mechanical Engineering, Applied Mathematics
- Electronic version(s)
-
https://doi.org/10.1016/j.ijmecsci.2026.111363 (Access:
Open
)
