Researchers have developed a new framework for learning ab initio phase-field models, which aims to simulate microstructure evolution with both quantum-mechanical accuracy and mesoscopic reach. This method derives the mesoscopic equation from molecular dynamics, with neural networks learning the unspecified free energy and mobility from simulations. The framework has been demonstrated on iron-boron melts and hydrogen-helium mixtures, providing thermodynamic insights and enabling simulations at scales previously unattainable with atomistic modeling. AI
IMPACT Enables more accurate and large-scale simulations for materials science and physics.
RANK_REASON The cluster contains a single academic paper detailing a new computational framework. [lever_c_demoted from research: ic=1 ai=1.0]
- ADGRV1
- alphaXiv
- arXiv
- CatalyzeX
- DagsHub
- Gotit.pub
- Hugging Face
- IArxiv
- Mori-Zwanzig formalism
- ScienceCast
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