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Characterizing ordering in liquids: An information theoretic approach

Author
Pardo, L.; Henao, A.; Vispa, A.
Type of activity
Journal article
Journal
Journal of non-crystalline solids
Date of publication
2015-01-01
Volume
407
First page
220
Last page
227
DOI
https://doi.org/10.1016/j.jnoncrysol.2014.07.032 Open in new window
Repository
http://hdl.handle.net/2117/27961 Open in new window
Abstract
The determination of special molecular arrangements in disordered phases such as liquids is inherently difficult due to its lack of periodicity, in contrast to the crystalline solids. We have already settled a general method to study molecular liquids capable to unveil the details of the molecular ordering from small molecules to systems as big as a protein. However it would be desirable to extract some general features of a liquid phase without going into such details. In this work we propose a...
Citation
Pardo, L.; Henao, A.; Vispa, A. Characterizing ordering in liquids: An information theoretic approach. "Journal of non-crystalline solids", 01 Gener 2015, vol. 407, p. 220-227.
Keywords
Carbon tetrachloride, Glass-transition, Information theory, Liquid, Molecular liquids, Ocorrelations, Reverse-Monte-Carlo, Short range order, Structure
Group of research
CRnE - Barcelona Research Center in Multiscale Science and Engineering
GCM - Group of Characterization of Materials
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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