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About this paper
Mengyi Chen, Peichen Zhong, Zihan Zhang, Qianxiao Li
The authors derive a mesoscopic density-field model from microscopic dynamics and learn its free energy and mobility from short molecular-dynamics trajectories generated with machine-learning interatomic potentials. The model predicts Fe–B stability and simulates H–He helium redistribution over 1 ns in a column representing 2.2 million atoms. This density-field simulation uses diffusion under enhanced gravity, not hydrodynamic droplet settling.
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