The Stokes-Einstein (SE) relation has been considered as one of the hallmarks of dynamics in liquids. It describes that the diffusion constant D is proportional to (τ/T)⁻¹, where τ is the structural relaxation time and T is the temperature. In many glass-forming liquids, the breakdown of SE relation often occurred when the dynamics of the liquids becomes glassy, and its origin is still debated among many scientists. Using molecular dynamics simulations and support-vector machine method, it is found that the scaling between diffusion and relaxation fails when the total population of solid-like clusters shrinks at the maximal rate with decreasing temperature, which implies a dramatic unification of clusters into an extensive dominant one occurs at the time of breakdown of the SE relation. Our data leads to an interpretation that the SE violation in metallic glass-forming liquids can be attributed to a specific change in the atomic structures.

中文翻译：

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通过机器学习重新探究玻璃形成液体中斯托克斯-爱因斯坦关系的细分

斯托克斯-爱因斯坦（SE）关系被认为是液体动力学的标志之一。它描述了扩散常数D与（τ/ T）^-1成正比，其中τ是结构弛豫时间，T是是温度。在许多形成玻璃的液体中，当液体的动力学变为玻璃态时，经常会发生SE关系的破裂，并且其起源仍在许多科学家中争论不休。使用分子动力学模拟和支持向量机方法，发现当固态簇的总种群随着温度降低而以最大速率收缩时，扩散和弛豫之间的缩放将失败，这意味着簇显着地统一为一个大范围。主导关系发生在SE关系破裂时。我们的数据导致一种解释，即金属玻璃形成液体中的SE违规可归因于原子结构的特定变化。