DOI: 10.1063/1.3129247. Out-of-equilibrium dynamics of a fractal model gel

Out-of-equilibrium dynamics of a fractal model gel

10.1063/1.3129247

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Using molecular dynamics computer simulations we investigate the dynamics of a gel. We start from a fractal structure generated by the diffusion limited cluster aggregation-deflection algorithm, onto which we then impose an interaction potential consisting of a short-range attraction as well as a long-range repulsion. After relaxing the system at zero temperature, we let it evolve at a fixed finite temperature. Depending on the temperature T we find different scenarios for the dynamics. For T≳0.2 the fractal structure is unstable and breaks up into small clusters which relax to equilibrium. For T≲0.2 the structure is stable and the dynamics slows down with increasing waiting time. At intermediate and low T the mean squared displacement scales as t2/3 and we discuss several mechanisms for this anomalous time dependence. For intermediate T, the self-intermediate scattering function is given by a compressed exponential at small wave vectors and by a stretched exponential at large wave vectors. In contrast, for low T it is a stretched exponential for all wave vectors. This behavior can be traced back to a subtle interplay between elastic rearrangements, fluctuations of chainlike filaments, and heterogeneity.

Bibliography

Suarez, M.-A., Kern, N., Pitard, E., & Kob, W. (2009). Out-of-equilibrium dynamics of a fractal model gel. The Journal of Chemical Physics, 130(19).

Authors 4

M.-A. Suarez (first)
N. Kern (additional)
E. Pitard (additional)
W. Kob (additional)

References 34 Referenced 14

10.1038/339360a0 / Nature (London) (1989)
A. M. Puertas and M. Fuchs, arXiv:cond-mat/0810.0681.
10.1016/j.physa.2005.07.003 / Physica A (2005)
10.1103/PhysRevLett.93.055701 / Phys. Rev. Lett. (2004)
10.1021/jp052683g / J. Phys. Chem. B (2005)
10.1103/PhysRevLett.97.168301 / Phys. Rev. Lett. (2006)
10.1209/epl/i2005-10342-5 / Europhys. Lett. (2005)
10.1103/PhysRevLett.94.218301 / Phys. Rev. Lett. (2005)
10.1038/320340a0 / Nature (London) (1986)
10.1103/PhysRevLett.70.2766 / Phys. Rev. Lett. (1993)
10.1103/PhysRevE.47.248 / Phys. Rev. E (1993)
10.1088/0953-8984/19/32/323101 / J. Phys.: Condens. Matter (2007)
10.1038/nature06931 / Nature (London) (2008)
10.1039/b204495a / Faraday Discuss. (2003)
10.1088/0953-8984/17/6/R01 / J. Phys.: Condens. Matter (2005)
10.1007/b80352 / Slow Relaxations and Non Equilibrium Dynamics in Condensed Matter by Barrat (2003)
S. Babu, J. C. Gimel, and T. Nicolai, arXiv:cond-mat/0801.4447.
10.1103/PhysRevLett.84.2275 / Phys. Rev. Lett. (2000)
10.1103/PhysRevLett.51.1119 / Phys. Rev. Lett. (1983)
10.1103/PhysRevLett.51.1123 / Phys. Rev. Lett. (1983)
10.1103/PhysRevB.50.6006 / Phys. Rev. B (1994)
10.1103/PhysRevE.65.041403 / Phys. Rev. E (2002)
10.1016/S0022-3093(01)00456-2 / J. Non-Cryst. Solids (2001)
{'volume-title': 'Computer Simulation of Liquids', 'year': '2001', 'key': '2023063021411552600_c22'} / Computer Simulation of Liquids (2001)
{'volume-title': 'Theory of Simple Liquids', 'year': '1996', 'key': '2023063021411552600_c23'} / Theory of Simple Liquids (1996)
{'volume-title': 'Soft and Fragile Matter. Nonequilibrium Dynamics, Metastability and Flow', 'year': '2000', 'author': 'Cates', 'key': '2023063021411552600_c24'} / Soft and Fragile Matter. Nonequilibrium Dynamics, Metastability and Flow by Cates (2000)
10.1007/s100510050038 / Eur. Phys. J. B (2000)
{'volume-title': 'The Theory of Polymer Dynamics', 'year': '1986', 'key': '2023063021411552600_c26'} / The Theory of Polymer Dynamics (1986)
10.1103/PhysRevE.76.051806 / Phys. Rev. E (2007)
10.1007/s101890170005 / Eur. Phys. J. E (2001)
10.1103/PhysRevLett.98.028303 / Phys. Rev. Lett. (2007)
10.1103/PhysRevLett.93.228302 / Phys. Rev. Lett. (2004)
10.1103/PhysRevE.76.051404 / Phys. Rev. E (2007)
{'key': '2023063021411552600_c32'}

Dates

Type	When
Created	16 years, 3 months ago (May 19, 2009, 7:05 p.m.)
Deposited	2 years, 2 months ago (June 30, 2023, 5:41 p.m.)
Indexed	1 month ago (July 30, 2025, 6:52 a.m.)
Issued	16 years, 3 months ago (May 19, 2009)
Published	16 years, 3 months ago (May 19, 2009)
Published Online	16 years, 3 months ago (May 19, 2009)
Published Print	16 years, 3 months ago (May 21, 2009)

Funders 0

None

BibTeX

@article{Suarez_2009, title={Out-of-equilibrium dynamics of a fractal model gel}, volume={130}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.3129247}, DOI={10.1063/1.3129247}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Suarez, M.-A. and Kern, N. and Pitard, E. and Kob, W.}, year={2009}, month=may }

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