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The computational evidence for the crucial role of the dipole cross-correlations in the polar glass-forming liquids

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arxiv 2204.12141 v1 pith:4XYTFLWY submitted 2022-04-26 cond-mat.soft

classification cond-mat.soft
keywords liquidscross-correlationsdielectricdipolestronglyweakly-polaranalyzecomputational
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In this letter, we analyze the dipole-dipole correlations obtained from the molecular dynamics simulations for strongly- and weakly-polar model liquids. As a result, we found that cross-correlations contribution to the systems total dipole moment correlation function, which is directly measured in the dielectric spectroscopy experiment, is negligible for weakly-polar liquids. In contrast, the cross-correlations term dominates over the self-correlations one for examined strongly polar-liquid. Consequently, our studies strongly support the interpretation of the dielectric spectra nature of the glass forming liquids, recently proposed by Pabst et al.

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  1. On the Spectral Shape of the Structural Relaxation in Deeply Supercooled Liquids

    cond-mat.soft 2024-12 conditional novelty 3.0 of 10

    The structural relaxation of deeply supercooled liquids appears to have a generic one-over-square-root-of-frequency high-frequency spectrum for single-molecule dynamics, with dielectric deviations caused by dipolar cr...

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