Literature DB >> 24880303

String model for the dynamics of glass-forming liquids.

Beatriz A Pazmiño Betancourt1, Jack F Douglas2, Francis W Starr1.   

Abstract

We test the applicability of a living polymerization theory to describe cooperative string-like particle rearrangement clusters (strings) observed in simulations of a coarse-grained polymer melt. The theory quantitatively describes the interrelation between the average string length L, configurational entropy Sconf, and the order parameter for string assembly Φ without free parameters. Combining this theory with the Adam-Gibbs model allows us to predict the relaxation time τ in a lower temperature T range than accessible by current simulations. In particular, the combined theories suggest a return to Arrhenius behavior near Tg and a low T residual entropy, thus avoiding a Kauzmann "entropy crisis."

Entities:  

Year:  2014        PMID: 24880303      PMCID: PMC5848698          DOI: 10.1063/1.4878502

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  49 in total

1.  Dynamics and configurational entropy in the Lewis-Wahnström model for supercooled orthoterphenyl.

Authors:  S Mossa; E La Nave; H E Stanley; C Donati; F Sciortino; P Tartaglia
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2002-04-10

2.  Density-of-states Monte Carlo simulation of a binary glass.

Authors:  Qiliang Yan; Tushar S Jain; Juan J de Pablo
Journal:  Phys Rev Lett       Date:  2004-06-09       Impact factor: 9.161

3.  Role of vortex strings in the three-dimensional O(2) model.

Authors: 
Journal:  Phys Rev Lett       Date:  1986-09-15       Impact factor: 9.161

4.  Macromolecular crowding effects on protein-protein binding affinity and specificity.

Authors:  Young C Kim; Robert B Best; Jeetain Mittal
Journal:  J Chem Phys       Date:  2010-11-28       Impact factor: 3.488

5.  Spatially heterogeneous dynamics and the Adam-Gibbs relation in the Dzugutov liquid.

Authors:  Yeshitila Gebremichael; Michael Vogel; Magnus N J Bergroth; Francis W Starr; Sharon C Glotzer
Journal:  J Phys Chem B       Date:  2005-08-11       Impact factor: 2.991

6.  Polymerization and bundling kinetics of FtsZ filaments.

Authors:  Ganhui Lan; Alex Dajkovic; Denis Wirtz; Sean X Sun
Journal:  Biophys J       Date:  2008-07-11       Impact factor: 4.033

7.  String-like collective atomic motion in the melting and freezing of nanoparticles.

Authors:  Hao Zhang; Pranav Kalvapalle; Jack F Douglas
Journal:  J Phys Chem B       Date:  2011-06-30       Impact factor: 2.991

8.  Pressure-energy correlations in liquids. IV. "Isomorphs" in liquid phase diagrams.

Authors:  Nicoletta Gnan; Thomas B Schrøder; Ulf R Pedersen; Nicholas P Bailey; Jeppe C Dyre
Journal:  J Chem Phys       Date:  2009-12-21       Impact factor: 3.488

9.  Local variation of fragility and glass transition temperature of ultra-thin supported polymer films.

Authors:  Paul Z Hanakata; Jack F Douglas; Francis W Starr
Journal:  J Chem Phys       Date:  2012-12-28       Impact factor: 3.488

10.  Grain boundaries exhibit the dynamics of glass-forming liquids.

Authors:  Hao Zhang; David J Srolovitz; Jack F Douglas; James A Warren
Journal:  Proc Natl Acad Sci U S A       Date:  2009-04-29       Impact factor: 11.205

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  8 in total

1.  Energy Renormalization for Coarse-Graining the Dynamics of a Model Glass-Forming Liquid.

Authors:  Wenjie Xia; Jake Song; Nitin K Hansoge; Frederick R Phelan; Sinan Keten; Jack F Douglas
Journal:  J Phys Chem B       Date:  2018-02-05       Impact factor: 2.991

2.  Cooperative strings and glassy interfaces.

Authors:  Thomas Salez; Justin Salez; Kari Dalnoki-Veress; Elie Raphaël; James A Forrest
Journal:  Proc Natl Acad Sci U S A       Date:  2015-06-22       Impact factor: 11.205

3.  Influence of string-like cooperative atomic motion on surface diffusion in the (110) interfacial region of crystalline Ni.

Authors:  Hao Zhang; Ying Yang; Jack F Douglas
Journal:  J Chem Phys       Date:  2015-02-28       Impact factor: 3.488

4.  Quantitative relations between cooperative motion, emergent elasticity, and free volume in model glass-forming polymer materials.

Authors:  Beatriz A Pazmiño Betancourt; Paul Z Hanakata; Francis W Starr; Jack F Douglas
Journal:  Proc Natl Acad Sci U S A       Date:  2015-02-23       Impact factor: 11.205

5.  Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities.

Authors:  J Helfferich; J Brisch; H Meyer; O Benzerara; F Ziebert; J Farago; J Baschnagel
Journal:  Eur Phys J E Soft Matter       Date:  2018-06-01       Impact factor: 1.890

6.  Collective Motion in the Interfacial and Interior Regions of Supported Polymer Films and Its Relation to Relaxation.

Authors:  Wengang Zhang; Francis W Starr; Jack F Douglas
Journal:  J Phys Chem B       Date:  2019-06-27       Impact factor: 2.991

7.  Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles.

Authors:  Esmael J Haddadian; Hao Zhang; Karl F Freed; Jack F Douglas
Journal:  Sci Rep       Date:  2017-02-08       Impact factor: 4.379

8.  Mathematical modelling of thickness and temperature dependent physical aging to O2/N2 gas separation in polymeric membranes.

Authors:  S S M Lock; K K Lau; A M Shariff; Y F Yeong; Faizan Ahmad
Journal:  RSC Adv       Date:  2018-08-28       Impact factor: 4.036

  8 in total

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