Literature DB >> 23030917

Scaling of volumetric data in model systems based on the Lennard-Jones potential.

A Grzybowski1, K Koperwas, M Paluch.   

Abstract

The crucial problem for better understanding the nature of glass transition and related relaxation phenomena is to find proper interrelations between the molecular dynamics and thermodynamics of viscous systems. To make progress towards this goal the recently observed density scaling of viscous liquid dynamics has been very intensively and successfully studied in the past few years. However, previous attempts at related scaling of volumetric data yielded results inconsistent with those found from the density scaling of molecular dynamics. In this paper, we show that volumetric data obtained from simulations in simple molecular models based on the Lennard-Jones (LJ) potential, such as the Kob-Andersen binary LJ liquid, its repulsive inverse power-law version, and the Lewis-Wahnström o-terphenyl model, can be scaled by using the same value of the exponent, which scales dynamic quantities and is directly related to the exponent of the repulsive inverse power law that underlies short-range approximations of the LJ potential.

Year:  2012        PMID: 23030917     DOI: 10.1103/PhysRevE.86.031501

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


  5 in total

1.  The Modified VFT law of glass former materials under pressure: Part II: Relation with the equation of state.

Authors:  Jacques Rault
Journal:  Eur Phys J E Soft Matter       Date:  2015-08-31       Impact factor: 1.890

2.  Density Scaling of Translational and Rotational Molecular Dynamics in a Simple Ellipsoidal Model near the Glass Transition.

Authors:  Karol Liszka; Andrzej Grzybowski; Kajetan Koperwas; Marian Paluch
Journal:  Int J Mol Sci       Date:  2022-04-20       Impact factor: 6.208

3.  Activation volume of selected liquid crystals in the density scaling regime.

Authors:  A Grzybowski; S Urban; S Mroz; M Paluch
Journal:  Sci Rep       Date:  2017-02-09       Impact factor: 4.379

4.  Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling.

Authors:  Elżbieta Masiewicz; Andrzej Grzybowski; Katarzyna Grzybowska; Sebastian Pawlus; Jürgen Pionteck; Marian Paluch
Journal:  Sci Rep       Date:  2015-09-14       Impact factor: 4.379

5.  Thermodynamic consequences of the kinetic nature of the glass transition.

Authors:  Kajetan Koperwas; Andrzej Grzybowski; Satya N Tripathy; Elzbieta Masiewicz; Marian Paluch
Journal:  Sci Rep       Date:  2015-12-10       Impact factor: 4.379

  5 in total

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