AI 中文总结
本研究构建刚性四面体模型，发现转动先于平动解耦，破坏斯托克斯-爱因斯坦-德拜关系，但保持斯托克斯-爱因斯坦关系，解耦发生在约2Tg，归因于空间位阻作用。
AI 中文摘要
在过冷液体中，随着温度降低，平动动力学通常比转动动力学更早发生解耦，而相反的情形鲜有报道。在本工作中，我们从粗粒化邻三联苯模型出发，构建了一个刚性的四面体结构模型。该模型表现出转动比平动更早的解耦现象。斯托克斯-爱因斯坦-德拜关系被破坏，而斯托克斯-爱因斯坦关系仍然成立。解耦发生在大约2Tg处，与在过冷水中观察到的现象相似。在所有温度下，转动比平动表现出更强的动力学异质性。我们的结果表明，空间位阻在决定平动与转动动力学之间的解耦中起着重要作用。
英文摘要
The translational dynamics usually decouples earlier than the rotational in supercooled liquids as the temperature decreases, whereas the inverted scenario remains scarce reported. In this work, starting from the coarse-grained ortho-terphenyl model, we build a rigid tetrahedral structure model. It exhibits an earlier decoupling in rotation than in translation. The Stokes-Einstein-Debye relation breaks down while the Stokes-Einstein relation remains intact. The decoupling happens at approximately 2Tg similar as that observed in supercooled water. The rotation shows more heterogeneous dynamics than the translation at all temperatures. Our results suggest that the steric hindrance plays an important role in determining the decoupling between the translational and rotational dynamics.
Journal refCommunications in Theoretical Physics. 2026, 78(9): 95603
