Advanced search
1 file | 955.26 KB

Creating the conditions of anomalous self-diffusion in a liquid with molecular dynamics

Simon Standaert (UGent) , Jan Ryckebusch (UGent) and Lesley De Cruz (UGent)
Author
Organization
Abstract
We propose a computational method for simulating anomalous self-diffusion in a simple liquid. The method is based on a molecular dynamics simulation on which we impose the following two conditions: firstly, the inter-particle interaction is described using a soft-core potential; and secondly, the system is forced out of equilibrium. The latter can be achieved by subjecting the system to changes in the length scale, intermittently. In many respects, our simulation system bears a resemblance to slowly driven sandpile models displaying self-organized criticality. We find non-Gaussian single-time-step displacement distributions during the out-of-equilibrium time periods of the simulation.
Keywords
Diffusion, driven diffusive systems, molecular dynamics, self-organized criticality, DISORDERED MEDIA, SIMULATION

Downloads

  • (...).pdf
    • full text
    • |
    • UGent only
    • |
    • PDF
    • |
    • 955.26 KB

Citation

Please use this url to cite or link to this publication:

Chicago
Standaert, Simon, Jan Ryckebusch, and Lesley De Cruz. 2010. “Creating the Conditions of Anomalous Self-diffusion in a Liquid with Molecular Dynamics.” Journal of Statistical Mechanics-theory and Experiment.
APA
Standaert, Simon, Ryckebusch, J., & De Cruz, L. (2010). Creating the conditions of anomalous self-diffusion in a liquid with molecular dynamics. JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT.
Vancouver
1.
Standaert S, Ryckebusch J, De Cruz L. Creating the conditions of anomalous self-diffusion in a liquid with molecular dynamics. JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT. 2010;
MLA
Standaert, Simon, Jan Ryckebusch, and Lesley De Cruz. “Creating the Conditions of Anomalous Self-diffusion in a Liquid with Molecular Dynamics.” JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT (2010): n. pag. Print.
@article{1007127,
  abstract     = {We propose a computational method for simulating anomalous self-diffusion in a simple liquid. The method is based on a molecular dynamics simulation on which we impose the following two conditions: firstly, the inter-particle interaction is described using a soft-core potential; and secondly, the system is forced out of equilibrium. The latter can be achieved by subjecting the system to changes in the length scale, intermittently. In many respects, our simulation system bears a resemblance to slowly driven sandpile models displaying self-organized criticality. We find non-Gaussian single-time-step displacement distributions during the out-of-equilibrium time periods of the simulation.},
  articleno    = {P04004},
  author       = {Standaert, Simon and Ryckebusch, Jan and De Cruz, Lesley},
  issn         = {1742-5468},
  journal      = {JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT},
  keywords     = {Diffusion,driven diffusive systems,molecular dynamics,self-organized criticality,DISORDERED MEDIA,SIMULATION},
  language     = {eng},
  pages        = {14},
  title        = {Creating the conditions of anomalous self-diffusion in a liquid with molecular dynamics},
  url          = {http://dx.doi.org/10.1088/1742-5468/2010/04/P04004},
  year         = {2010},
}

Altmetric
View in Altmetric
Web of Science
Times cited: