Towards an information-based theory of structure
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arXiv
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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2024
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| _version_ | 1866909283627565056 |
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| author | Hibbard, Glenn D. Çamkıran, John |
| author_facet | Hibbard, Glenn D. Çamkıran, John |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2403_13719 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Towards an information-based theory of structure Hibbard, Glenn D. Çamkıran, John Materials Science 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. |
| title | Towards an information-based theory of structure |
| topic | Materials Science |
| url | https://arxiv.org/abs/2403.13719 |