Literature DB >> 21793599

Scaling between relaxation, transport, and caged dynamics in polymers: from cage restructuring to diffusion.

F Puosi1, D Leporini.   

Abstract

The slow relaxation, the diffusivity, and the fast cage-dynamics of a melt of fully flexible unentangled polymer chains is studied by molecular-dynamics simulations. States with different nonbonding potential, chain length, density and temperature are considered. The scaling between the slow dynamics and the fast dynamics, as characterized by the amplitude of the rattling motion inside the cage, is evidenced. The analysis carried out in terms of the van Hove function shows that: (i) the scaling does not depend on the specific quantity used to quantify both the relaxation times and the amplitude of the rattling motion; (ii) it holds on the length scale of the jump-like dynamics; (iii) it also holds on the time scale of the diffusive regime if the chain-length effect is taken into proper account, thus extending analogous results already known for atomic liquids.
© 2011 American Chemical Society

Entities:  

Year:  2011        PMID: 21793599     DOI: 10.1021/jp203659r

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  4 in total

1.  The kinetic fragility of liquids as manifestation of the elastic softening.

Authors:  F Puosi; D Leporini
Journal:  Eur Phys J E Soft Matter       Date:  2015-08-13       Impact factor: 1.890

2.  Vibrational scaling of the heterogeneous dynamics detected by mutual information.

Authors:  Antonio Tripodo; Francesco Puosi; Marco Malvaldi; Dino Leporini
Journal:  Eur Phys J E Soft Matter       Date:  2019-11-22       Impact factor: 1.890

Review 3.  Fast Vibrational Modes and Slow Heterogeneous Dynamics in Polymers and Viscous Liquids.

Authors:  Francesco Puosi; Antonio Tripodo; Dino Leporini
Journal:  Int J Mol Sci       Date:  2019-11-14       Impact factor: 5.923

4.  Molecular probe dynamics reveals suppression of ice-like regions in strongly confined supercooled water.

Authors:  Debamalya Banerjee; Shrivalli N Bhat; Subray V Bhat; Dino Leporini
Journal:  PLoS One       Date:  2012-09-26       Impact factor: 3.240

  4 in total

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