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Characterizing ordering in liquids: An information theoretic approach

Autor
Pardo, L.; Henao, A.; Vispa, A.
Tipus d'activitat
Article en revista
Revista
Journal of non-crystalline solids
Data de publicació
2015-01-01
Volum
407
Pàgina inicial
220
Pàgina final
227
DOI
https://doi.org/10.1016/j.jnoncrysol.2014.07.032 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/27961 Obrir en finestra nova
Resum
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...
Citació
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.
Paraules clau
Carbon tetrachloride, Glass-transition, Information theory, Liquid, Molecular liquids, Ocorrelations, Reverse-Monte-Carlo, Short range order, Structure
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
GCM - Grup de Caracterització de Materials
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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