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Structural disorder and anomalous diffusion in random packing of spheres

Nowadays Nuclear Magnetic Resonance diffusion (dNMR) measurements of water molecules in heterogeneous systems have broad applications in material science, biophysics and medicine. Up to now, microstructural rearrangement in media has been experimentally investigated by studying the diffusion coeffic...

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Autores principales: Palombo, M., Gabrielli, A., Servedio, V. D. P., Ruocco, G., Capuani, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3769655/
https://www.ncbi.nlm.nih.gov/pubmed/24022264
http://dx.doi.org/10.1038/srep02631
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author Palombo, M.
Gabrielli, A.
Servedio, V. D. P.
Ruocco, G.
Capuani, S.
author_facet Palombo, M.
Gabrielli, A.
Servedio, V. D. P.
Ruocco, G.
Capuani, S.
author_sort Palombo, M.
collection PubMed
description Nowadays Nuclear Magnetic Resonance diffusion (dNMR) measurements of water molecules in heterogeneous systems have broad applications in material science, biophysics and medicine. Up to now, microstructural rearrangement in media has been experimentally investigated by studying the diffusion coefficient (D(t)) behavior in the tortuosity limit. However, this method is not able to describe structural disorder and transitions in complex systems. Here we show that, according to the continuous time random walk framework, the dNMR measurable parameter α, quantifying the anomalous regime of D(t), provides a quantitative characterization of structural disorder and structural transition in heterogeneous systems. To demonstrate this, we compare α measurements obtained in random packed monodisperse micro-spheres with Molecular Dynamics simulations of disordered porous media and 3D Monte Carlo simulation of particles diffusion in these kind of systems. Experimental results agree well with simulations that correlate the most used parameters and functions characterizing the disorder in porous media.
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spelling pubmed-37696552013-09-11 Structural disorder and anomalous diffusion in random packing of spheres Palombo, M. Gabrielli, A. Servedio, V. D. P. Ruocco, G. Capuani, S. Sci Rep Article Nowadays Nuclear Magnetic Resonance diffusion (dNMR) measurements of water molecules in heterogeneous systems have broad applications in material science, biophysics and medicine. Up to now, microstructural rearrangement in media has been experimentally investigated by studying the diffusion coefficient (D(t)) behavior in the tortuosity limit. However, this method is not able to describe structural disorder and transitions in complex systems. Here we show that, according to the continuous time random walk framework, the dNMR measurable parameter α, quantifying the anomalous regime of D(t), provides a quantitative characterization of structural disorder and structural transition in heterogeneous systems. To demonstrate this, we compare α measurements obtained in random packed monodisperse micro-spheres with Molecular Dynamics simulations of disordered porous media and 3D Monte Carlo simulation of particles diffusion in these kind of systems. Experimental results agree well with simulations that correlate the most used parameters and functions characterizing the disorder in porous media. Nature Publishing Group 2013-09-11 /pmc/articles/PMC3769655/ /pubmed/24022264 http://dx.doi.org/10.1038/srep02631 Text en Copyright © 2013, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/3.0/ This work is licensed under a Creative Commons Attribution-NonCommercial- NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/
spellingShingle Article
Palombo, M.
Gabrielli, A.
Servedio, V. D. P.
Ruocco, G.
Capuani, S.
Structural disorder and anomalous diffusion in random packing of spheres
title Structural disorder and anomalous diffusion in random packing of spheres
title_full Structural disorder and anomalous diffusion in random packing of spheres
title_fullStr Structural disorder and anomalous diffusion in random packing of spheres
title_full_unstemmed Structural disorder and anomalous diffusion in random packing of spheres
title_short Structural disorder and anomalous diffusion in random packing of spheres
title_sort structural disorder and anomalous diffusion in random packing of spheres
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3769655/
https://www.ncbi.nlm.nih.gov/pubmed/24022264
http://dx.doi.org/10.1038/srep02631
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