Towards an information-based theory of structure

We call for a theory of the particle-scale structure of materials that is based on the general notion of information rather than its special case of symmetry. An inherent limitation to the symmetry-based understanding of structure is described. The rapid decay in interaction strength with interparti...

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Bibliographic Details
Published inarXiv.org
Main Authors Hibbard, Glenn D, Çamkıran, John
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 11.08.2024
Subjects
Recoverability
Redundancy
Symmetry
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Summary:We call for a theory of the particle-scale structure of materials that is based on the general notion of information rather than its special case of symmetry. An inherent limitation to the symmetry-based understanding of structure is described. The rapid decay in interaction strength with interparticle distance is used to argue for the representability of a system locally through the neighbourhoods of its constituent particles. The extracopularity coefficient E is presented as a local quantifier of information and compared to point group order |G|, a local quantifier of symmetry. The former is found to have nearly double the resolution of the latter for a set of commonly encountered coordination geometries. A proof is given for the generality of extracopularity over point symmetry. Some practical challenges and future perspectives are discussed.
ISSN:2331-8422