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| Main Authors: | , |
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| Format: | Preprint |
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2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2410.00867 |
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| _version_ | 1866912407009361920 |
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| author | Hénot, Marceau Ladieu, François |
| author_facet | Hénot, Marceau Ladieu, François |
| contents | We report a direct determination of the cubic dielectric spectra of a realistic polar molecule, glycerol, from molecular dynamic (MD) simulations. From the liquid state to the mildly supercooled regime, we observed the emergence and growth of a hump in the cubic modulus, traditionally associated with collective effects in the dynamics. Its evolution follows that of dynamical correlations probed by the four-point susceptibility and that of the activation energy of the relaxation time. In particular, its appearance at high temperature coincides with the onset of super-activation. We show that, for this system, the shape of cubic spectra is only weakly affected by dipolar cross-correlations. The good agreement with experimental observations, despite the difference in temperature range, demonstrates the relevance of this approach to help get an insight into the intricate effects probed by non-linear dielectric spectroscopy. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_00867 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Emergence of a Hump in the Cubic Dielectric Response of Glycerol Hénot, Marceau Ladieu, François Soft Condensed Matter We report a direct determination of the cubic dielectric spectra of a realistic polar molecule, glycerol, from molecular dynamic (MD) simulations. From the liquid state to the mildly supercooled regime, we observed the emergence and growth of a hump in the cubic modulus, traditionally associated with collective effects in the dynamics. Its evolution follows that of dynamical correlations probed by the four-point susceptibility and that of the activation energy of the relaxation time. In particular, its appearance at high temperature coincides with the onset of super-activation. We show that, for this system, the shape of cubic spectra is only weakly affected by dipolar cross-correlations. The good agreement with experimental observations, despite the difference in temperature range, demonstrates the relevance of this approach to help get an insight into the intricate effects probed by non-linear dielectric spectroscopy. |
| title | Emergence of a Hump in the Cubic Dielectric Response of Glycerol |
| topic | Soft Condensed Matter |
| url | https://arxiv.org/abs/2410.00867 |