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Coupling and decoupling between translational and rotational dynamics in a tetrahedral molecular liquid

  • Gan Ren
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Abstract

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.

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Cite

BibTeXRIS
BibTeX
@misc{ren2026coupling,
  title = {{Coupling and decoupling between translational and rotational dynamics in a tetrahedral molecular liquid}},
  author = {Gan Ren},
  howpublished = {arXiv},
  year = {2026},
  month = sep,
  doi = {10.48550/arxiv.2609.06613},
  eprint = {2609.06613},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2609.06613},
}
RIS
TY  - UNPB
TI  - Coupling and decoupling between translational and rotational dynamics in a tetrahedral molecular liquid
AU  - Gan Ren
PY  - 2026
DA  - 2026/09/06
PB  - arXiv
DO  - 10.48550/arxiv.2609.06613
UR  - https://arxiv.org/abs/2609.06613
AB  - 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.
ER  -