2024/10/01 by Hénot, Marceau, Ladieu, François · 1 citation
#FOS: Physical sciences #Soft Condensed Matter (cond-mat.soft)
paper · doi:10.48550/arxiv.2410.00867
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.