Literature DB >> 23410336

Slow relaxations and stringlike jump motions in fragile glass-forming liquids: breakdown of the Stokes-Einstein relation.

Takeshi Kawasaki1, Akira Onuki.   

Abstract

We perform molecular dynamics simulation on a glass-forming liquid binary mixture with the soft-core potential in three dimensions. We investigate crossover of the configuration changes caused by stringlike jump motions. With lowering the temperature T, the motions of the particles composing strings become larger in sizes and displacements, while those of the particles surrounding strings become smaller. Then the contribution of the latter to time-correlation functions tends to be long-lived as T is lowered. As a result, the relaxation time τ(α) and the viscosity η grow more steeply than the inverse diffusion constant D(-1) at low T, leading to breakdown of the Stokes-Einstein relation. At low T, the diffusion occurs as activation processes and may well be described by short-time analysis of rare jump motions with broken bonds and large displacements. Some characteristic features of the Van Hove self-correlation function arise from escape jumps over high potential barriers. We also visualize the particle motions at string formation taking place in a very short time.

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Year:  2013        PMID: 23410336     DOI: 10.1103/PhysRevE.87.012312

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


  5 in total

1.  Avalanches mediate crystallization in a hard-sphere glass.

Authors:  Eduardo Sanz; Chantal Valeriani; Emanuela Zaccarelli; Wilson C K Poon; Michael E Cates; Peter N Pusey
Journal:  Proc Natl Acad Sci U S A       Date:  2013-12-04       Impact factor: 11.205

2.  Structural origin of fractional Stokes-Einstein relation in glass-forming liquids.

Authors:  Shaopeng Pan; Z W Wu; W H Wang; M Z Li; Limei Xu
Journal:  Sci Rep       Date:  2017-01-06       Impact factor: 4.379

3.  Identifying time scales for violation/preservation of Stokes-Einstein relation in supercooled water.

Authors:  Takeshi Kawasaki; Kang Kim
Journal:  Sci Adv       Date:  2017-08-18       Impact factor: 14.136

4.  Spurious violation of the Stokes-Einstein-Debye relation in supercooled water.

Authors:  Takeshi Kawasaki; Kang Kim
Journal:  Sci Rep       Date:  2019-05-31       Impact factor: 4.379

5.  Sucrose diffusion in aqueous solution.

Authors:  Hannah C Price; Johan Mattsson; Benjamin J Murray
Journal:  Phys Chem Chem Phys       Date:  2016-07-01       Impact factor: 3.676

  5 in total

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