Literature DB >> 12689046

Hopping in a supercooled Lennard-Jones liquid: metabasins, waiting time distribution, and diffusion.

B Doliwa1, A Heuer.   

Abstract

We investigate the jump motion among potential energy minima of a Lennard-Jones model glass former by extensive computer simulation. From the time series of minima energies, it becomes clear that the energy landscape is organized in superstructures called metabasins. We show that diffusion can be pictured as a random walk among metabasins, and that the whole temperature dependence resides in the distribution of waiting times. The waiting time distribution exhibits algebraic decays: tau(-1/2) for very short times and tau(-alpha) for longer times, where alpha approximately 2 near T(c). We demonstrate that solely the waiting times in the very stable basins account for the temperature dependence of the diffusion constant.

Year:  2003        PMID: 12689046     DOI: 10.1103/PhysRevE.67.030501

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  8 in total

1.  On the potential energy landscape of supercooled liquids and glasses.

Authors:  D Rodney; T Schrøder
Journal:  Eur Phys J E Soft Matter       Date:  2011-09-26       Impact factor: 1.890

2.  Molecular dynamics studies of heterogeneous dynamics and dynamic crossover in supercooled atomic liquids.

Authors:  Hans C Andersen
Journal:  Proc Natl Acad Sci U S A       Date:  2005-05-03       Impact factor: 11.205

3.  Transport in supported polyelectrolyte brushes.

Authors:  Carmen Reznik; Christy F Landes
Journal:  Acc Chem Res       Date:  2012-09-26       Impact factor: 22.384

4.  Structural relaxation and crystallization in supercooled water from 170 to 260 K.

Authors:  Loni Kringle; Wyatt A Thornley; Bruce D Kay; Greg A Kimmel
Journal:  Proc Natl Acad Sci U S A       Date:  2021-04-06       Impact factor: 11.205

5.  Transient 3-Dimensional Orientation of Molecular Ions in an Ordered Polyelectrolyte Membrane.

Authors:  Carmen Reznik; Rosalie Berg; Ed Foster; Rigoberto Advincula; Christy F Landes
Journal:  J Phys Chem Lett       Date:  2011-03-17       Impact factor: 6.475

6.  Comparing Microscopic and Macroscopic Dynamics in a Paradigmatic Model of Glass-Forming Molecular Liquid.

Authors:  Giuseppe Porpora; Francesco Rusciano; Raffaele Pastore; Francesco Greco
Journal:  Int J Mol Sci       Date:  2022-03-24       Impact factor: 5.923

7.  The liquid-amorphous phase transition, slow dynamics and dynamical heterogeneity for bulk iron: a molecular dynamics simulation.

Authors:  Kien Huu Pham; Trang Thi Thuy Giap
Journal:  RSC Adv       Date:  2021-10-04       Impact factor: 4.036

8.  Revisiting the concept of activation in supercooled liquids.

Authors:  Marco Baity-Jesi; Giulio Biroli; David R Reichman
Journal:  Eur Phys J E Soft Matter       Date:  2021-06-14       Impact factor: 1.890

  8 in total

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