Connecting heterogeneous dynamics with local entropy
Abstract
Establishing a robust and physically interpretable link between static structure and heterogeneous relaxation dynamics remains a fundamental challenge in glass physics. Here, we introduce a weighted pair-entropy descriptor based on the conventional two-body excess entropy. For this, we multiply the integrand used to calculate the excess entropy by a weight function that is directly related to the length scale of the pair correlation function. This multiplication does not affect the contribution of the short range order to the local excess entropy, but allows to take into account the structure present on intermediate distances, i.e., the medium-range order. For a canonical two-dimensional Lennard-Jones glass former, the resulting descriptor exhibits a strong correlation with particle-level dynamical propensity at long times (multiples of the alpha-relaxation time), with a maximum structure--dynamics correlation reaching about 0.9, substantially outperforming the predictive power of the conventional local pair excess entropy. These results demonstrate that incorporating a physically motivated structural length scale into entropy-based descriptors markedly enhances their predictive power while preserving physical interpretability. Our findings provide a simple and general framework for investigating structure--dynamics correlations in glass-forming systems.
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BibTeX
@misc{wu2026connecting,
title = {{Connecting heterogeneous dynamics with local entropy}},
author = {Jun Wu and Walter Kob and Yujie Wang and Zhen Zhang},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.05276},
eprint = {2609.05276},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.05276},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Connecting heterogeneous dynamics with local entropy
AU - Jun Wu
AU - Walter Kob
AU - Yujie Wang
AU - Zhen Zhang
PY - 2026
DA - 2026/09/04
PB - arXiv
DO - 10.48550/arxiv.2609.05276
UR - https://arxiv.org/abs/2609.05276
AB - Establishing a robust and physically interpretable link between static structure and heterogeneous relaxation dynamics remains a fundamental challenge in glass physics. Here, we introduce a weighted pair-entropy descriptor based on the conventional two-body excess entropy. For this, we multiply the integrand used to calculate the excess entropy by a weight function that is directly related to the length scale of the pair correlation function. This multiplication does not affect the contribution of the short range order to the local excess entropy, but allows to take into account the structure present on intermediate distances, i.e., the medium-range order. For a canonical two-dimensional Lennard-Jones glass former, the resulting descriptor exhibits a strong correlation with particle-level dynamical propensity at long times (multiples of the alpha-relaxation time), with a maximum structure--dynamics correlation reaching about 0.9, substantially outperforming the predictive power of the conventional local pair excess entropy. These results demonstrate that incorporating a physically motivated structural length scale into entropy-based descriptors markedly enhances their predictive power while preserving physical interpretability. Our findings provide a simple and general framework for investigating structure--dynamics correlations in glass-forming systems.
ER -