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High-dimensional order parameters and neural network classifiers applied to amorphous ices.
- Source :
-
Journal of Chemical Physics . 2/28/2024, Vol. 160 Issue 8, p1-6. 6p. - Publication Year :
- 2024
-
Abstract
- Amorphous ice phases are key constituents of water's complex structural landscape. This study investigates the polyamorphic nature of water, focusing on the complexities within low-density amorphous ice (LDA), high-density amorphous ice, and the recently discovered medium-density amorphous ice (MDA). We use rotationally invariant, high-dimensional order parameters to capture a wide spectrum of local symmetries for the characterization of local oxygen environments. We train a neural network to classify these local environments and investigate the distinctiveness of MDA within the structural landscape of amorphous ice. Our results highlight the difficulty in accurately differentiating MDA from LDA due to structural similarities. Beyond water, our methodology can be applied to investigate the structural properties and phases of disordered materials. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ICE
*LANDSCAPES
*SYMMETRY
*OXYGEN
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 160
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 175757107
- Full Text :
- https://doi.org/10.1063/5.0193340