Publikation:

Observation of liquid glass in molecular dynamics simulations

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2024

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Published

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The Journal of Chemical Physics. AIP Publishing. 2024, 160(16). ISSN 0021-9606. eISSN 1089-7690. Verfügbar unter: doi: 10.1063/5.0196599

Zusammenfassung

Molecular anisotropy plays an important role in the glass transition of a liquid. Recently, a novel bulk glass state has been discovered by optical microscopy experiments on suspensions of ellipsoidal colloids. “Liquid glass” is a disordered analog of a nematic liquid crystal, in which rotation motion is hindered but particles diffuse freely. Global nematic order is suppressed as clusters of aligned particles intertwine. We perform Brownian dynamics simulations to test the structure and dynamics of a dense system of soft ellipsoidal particles. As seen in the experiments and in accordance with predictions from the mode coupling theory, on the time scale of our simulations, rotation motion is frozen but translation motion persists in liquid glass. Analyses of the dynamic structure functions for translation and rotation corroborates the presence of two separate glass transitions for rotation and translation, respectively. Even though the equilibrium state should be nematic, aligned structures remain small and orientational order rapidly decays with increasing size. Long-wavelength fluctuations are remnants of the isotropic-nematic transition.

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540 Chemie

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Glass transitions, Colloidal systems, Brownian dynamics, Classical statistical mechanics, Molecular dynamics, Nematic liquid crystals

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ISO 690ALHISSI, Mohammed, Andreas ZUMBUSCH, Matthias FUCHS, 2024. Observation of liquid glass in molecular dynamics simulations. In: The Journal of Chemical Physics. AIP Publishing. 2024, 160(16). ISSN 0021-9606. eISSN 1089-7690. Verfügbar unter: doi: 10.1063/5.0196599
BibTex
@article{Alhissi2024-04-28Obser-70287,
  year={2024},
  doi={10.1063/5.0196599},
  title={Observation of liquid glass in molecular dynamics simulations},
  number={16},
  volume={160},
  issn={0021-9606},
  journal={The Journal of Chemical Physics},
  author={Alhissi, Mohammed and Zumbusch, Andreas and Fuchs, Matthias}
}
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