Literature DB >> 16970429

Quantitative link between single-particle dynamics and static structure of supercooled liquids.

Jeetain Mittal1, Jeffrey R Errington, Thomas M Truskett.   

Abstract

We present evidence via molecular simulation that the supercooled fluid states of SPC/E water as well as the "repulsive" and "attractive" supercooled fluid states of a recently introduced model for colloids with short-ranged attractions are characterized by the same functional relationship between self-diffusivity and the pair correlation function. We discuss how this simple relationship connects to an earlier finding that the temperature dependency of a supercooled fluid's single-particle dynamics tracks that of its excess entropy (relative to ideal gas). The generality of this observed structure-property relationship is supported by its ability to successfully describe the nontrivial behaviors of these very different types of model systems.

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Year:  2006        PMID: 16970429     DOI: 10.1021/jp064816j

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


  8 in total

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Journal:  Eur Phys J E Soft Matter       Date:  2011-09-23       Impact factor: 1.890

2.  Using compressibility factor as a predictor of confined hard-sphere fluid dynamics.

Authors:  Jeetain Mittal
Journal:  J Phys Chem B       Date:  2009-10-22       Impact factor: 2.991

3.  Critical-like behaviour of glass-forming liquids.

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Journal:  Nat Mater       Date:  2010-02-21       Impact factor: 43.841

4.  Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization: Bond orientational order in liquids.

Authors:  Hajime Tanaka
Journal:  Eur Phys J E Soft Matter       Date:  2012-10-31       Impact factor: 1.890

5.  Hierarchy of anomalies in the two-dimensional Mercedes-Benz model of water.

Authors:  Tomaz Urbic; Ken A Dill
Journal:  Phys Rev E       Date:  2018-09-11       Impact factor: 2.529

6.  Connection between water's dynamical and structural properties: Insights from ab initio simulations.

Authors:  Cecilia Herrero; Michela Pauletti; Gabriele Tocci; Marcella Iannuzzi; Laurent Joly
Journal:  Proc Natl Acad Sci U S A       Date:  2022-05-19       Impact factor: 12.779

7.  A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature.

Authors:  Jaehyeok Jin; Alexander J Pak; Yining Han; Gregory A Voth
Journal:  J Chem Phys       Date:  2021-01-28       Impact factor: 3.488

8.  Flow enhancement of water-based nanoparticle dispersion through microscale sedimentary rocks.

Authors:  Haiyang Yu; Youwei He; Peng Li; Shuang Li; Tiantian Zhang; Elena Rodriguez-Pin; Song Du; Chenglong Wang; Shiqing Cheng; Christopher W Bielawski; Steven L Bryant; Chun Huh
Journal:  Sci Rep       Date:  2015-03-03       Impact factor: 4.379

  8 in total

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