Thermodynamic Entropy as Information -- A compression-based demonstration of the Shannon-Boltzmann equivalence in condensed matter

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Hauptverfasser: Fisher, Dallin, Hong, Qi-Jun
Format: Preprint
Veröffentlicht: 2025
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author Fisher, Dallin
Hong, Qi-Jun
author_facet Fisher, Dallin
Hong, Qi-Jun
contents We demonstrate that Shannon's information entropy and the thermodynamic entropy of Boltzmann and Gibbs are quantitatively equivalent for real condensed-matter systems. By interpreting atomic configurations as information sources, we compute entropy directly from the compressibility of molecular-dynamics trajectories, without physical partitioning or empirical modeling. A custom lossy-compression algorithm measures the minimum number of bits required to describe a microstate at finite precision, and this bit count maps exactly to thermodynamic entropy through the Shannon-Boltzmann relation. The method reproduces benchmark entropies for metals, semiconductors, oxides, and refractory ceramics in both solid and liquid phases, establishing information as the fundamental quantity underlying thermodynamic disorder. This equivalence unifies information theory and statistical mechanics, providing a general and computationally efficient framework for determining entropies and free energies directly from atomic data.
format Preprint
id arxiv_https___arxiv_org_abs_2512_02221
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Thermodynamic Entropy as Information -- A compression-based demonstration of the Shannon-Boltzmann equivalence in condensed matter
Fisher, Dallin
Hong, Qi-Jun
Statistical Mechanics
Materials Science
We demonstrate that Shannon's information entropy and the thermodynamic entropy of Boltzmann and Gibbs are quantitatively equivalent for real condensed-matter systems. By interpreting atomic configurations as information sources, we compute entropy directly from the compressibility of molecular-dynamics trajectories, without physical partitioning or empirical modeling. A custom lossy-compression algorithm measures the minimum number of bits required to describe a microstate at finite precision, and this bit count maps exactly to thermodynamic entropy through the Shannon-Boltzmann relation. The method reproduces benchmark entropies for metals, semiconductors, oxides, and refractory ceramics in both solid and liquid phases, establishing information as the fundamental quantity underlying thermodynamic disorder. This equivalence unifies information theory and statistical mechanics, providing a general and computationally efficient framework for determining entropies and free energies directly from atomic data.
title Thermodynamic Entropy as Information -- A compression-based demonstration of the Shannon-Boltzmann equivalence in condensed matter
topic Statistical Mechanics
Materials Science
url https://arxiv.org/abs/2512.02221