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It is widely believed that the breakdown of the Stokes-Einstein (SE) relation between the translational diffusivity and the shear viscosity in supercooled liquids is due to the development of dynamic heterogeneity i.e. the presence of both…

Statistical Mechanics · Physics 2015-06-12 Shiladitya Sengupta , Smarajit Karmakar

The model Tip4p/{\epsilon} for water is tested for the presence of thermodynamic and dy- namic anomalies. Molecular dynamic simulations for this model were performed and we show that for this system the density versus temperature at…

Soft Condensed Matter · Physics 2015-08-12 Raul Fuentes-Azcatl , Marcia C. Barbosa

We investigate the heterogeneity of dynamics, the breakdown of the Stokes-Einstein relation and fragility in a model glass forming liquid, a binary mixture of soft spheres with a harmonic interaction potential, for spatial dimensions from 3…

Soft Condensed Matter · Physics 2021-08-20 Monoj Adhikari , Smarajit Karmakar , Srikanth Sastry

The diffusion of glycerol molecules decreases with decreasing temperature as its viscosity increases in a manner simply described by the Stokes-Einstein(SE) relation. Approaching the glass transition, this relation breaks down as it does…

Disordered Systems and Neural Networks · Physics 2007-05-23 Bo Chen , Eric E. Sigmund , W. P. Halperin

Stokes-Einstein (SE) relation, which relates diffusion constant with the viscosity of a liquid at high temperatures in equilibrium, is violated in the supercooled temperature regime. Whether this relation is obeyed in nonequilibrium active…

Soft Condensed Matter · Physics 2023-06-21 Anoop Mutneja , Smarajit Karmakar

The Stokes-Einstein relation (SER) is one of the most robust and widely employed results from the theory of liquids. Yet sizable deviations can be observed for self-solvation, which cannot be explained by the standard hydrodynamic…

Statistical Mechanics · Physics 2018-06-15 Benoit Charbonneau , Patrick Charbonneau , Grzegorz Szamel

The violation of Stokes--Einstein (SE) relation $D\sim (\eta/T)^{-1}$ between the shear viscosity $\eta$ and the translational diffusion constant $D$ at temperature $T$ is of great importance for characterizing anomalous dynamics of…

Soft Condensed Matter · Physics 2017-08-22 Takeshi Kawasaki , Kang Kim

Water displays breakdown of the Stokes-Einstein relation at low temperatures. We hypothesize that the breakdown is a result of the structural changes and a sharp rise in dynamic heterogeneities that occurs low T upon crossing the Widom…

Soft Condensed Matter · Physics 2007-05-23 Pradeep Kumar

The Stokes-Einstein (SE) relation has been widely applied to quantitatively describe the Brownian motion. Notwithstanding, here we show that even for a simple fluid, the SE relation may not be completely applicable. Namely, although the SE…

Statistical Mechanics · Physics 2021-03-17 Hanqing Zhao , Hong Zhao

An analysis of the values and signs of the activation energies of temperature dependences (TDs) of the self-diffusion coefficient (D) and dynamic viscosity ({\eta}) in the range from 0 {\deg}C to 100 {\deg}C confirmed that the molecular…

Fluid Dynamics · Physics 2020-03-12 Alexander Kholmanskiy

We have investigated temperature trends of the microscopic structure of the SPC/E and TIP4P-Ew water models in terms of the pair distribution functions, coordination numbers, the average number of hydrogen bonds, the distribution of bonding…

Soft Condensed Matter · Physics 2016-08-08 E. Galicia-Andrés , H. Dominguez , O. Pizio

The Infrared Spectrum is used as an experimental data target, to improved the TIP4P/$\epsilon$, adding harmonic potential U(r) in all bonds and harmonic potential U({\theta}) in the angle formed by the hydrogens and oxygen atoms of the…

Chemical Physics · Physics 2020-12-10 Raúl Fuentes-Azcatl

The effective hydrodynamic radius is usually assumed to be a constant in testing the Stokes-Einstein relation by its variants. We have performed molecular dynamics simulations with ortho-terphenyl and Kob-Andersen model to examine the…

Soft Condensed Matter · Physics 2022-01-19 Gan Ren

A microscopic model able to describe simultaneously the dynamic viscosity and the self-diffusion coefficient of fluids is presented. This model is shown to emerge from the introduction of fractional calculus in a usual model of condensed…

Statistical Mechanics · Physics 2021-11-24 F. Aitken , F. Volino

We study the breakdown of the Stokes-Einstein (SE) and Debye-Stokes-Einstein (DSE) relations for translational and rotational motion in a prototypical model of a network-forming liquid, the ST2 model of water. We find that the emergence of…

Soft Condensed Matter · Physics 2009-11-11 Stephen R. Becker , Peter H. Poole , Francis W. Starr

We investigate the origin of the breakdown of the Stokes-Einstein relation (SER) between diffusivity and viscosity in undercooled melts. A binary Lennard-Jones system, as a model for a metallic melt, is studied by molecular dynamics. A weak…

Disordered Systems and Neural Networks · Physics 2016-06-22 H. R. Schober , H. L. Peng

We investigate the origin of the violation of the Stokes-Einstein (SE) relation in two-dimensional Yukawa liquids. Using comprehensive molecular dynamics simulations, we identify the time scales supporting the violation of the SE relation…

Soft Condensed Matter · Physics 2021-04-13 Zahra Ghannad

Hydrodynamic interactions are important for diverse fluids especially those with low Reynold's number such as microbial and particle-laden suspensions, and proteins diffusing in membranes. Unfortunately, while far-field (asymptotic)…

Soft Condensed Matter · Physics 2023-02-10 Noman Hanif Barbhuiya , A. G. Yodh , Chandan K. Mishra

Breakdown of Stokes-Einstein relation in supercooled liquids is believed to be one of the hallmarks of glass transition. The phenomena is studied in depth over many years to understand the microscopic mechanism without much success.…

Statistical Mechanics · Physics 2016-08-03 Bhanu Prasad Bhowmik , Rajsekhar Das , Smarajit Karmakar

The Stokes-Einstein relation, relating the diffusion and viscosity coefficients D and eta, is tested in two dimensions. An equilibrium molecular-dynamics simulation was used with a Yukawa pair potential. Regimes are identified where motion…

Soft Condensed Matter · Physics 2009-11-11 Bin Liu , J. Goree