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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

We report an ab initio study of structural and dynamic properties of liquid copper as a function of temperature. In particular, we have evaluated the temperature dependence of the self-diffusion coefficient from the velocity autocorrelation…

Soft Condensed Matter · Physics 2015-12-25 N. Jakse , A. Pasturel

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 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

The Stokes-Einstein (SE) relation is commonly regarded as being breakdown in supercooled water. However, this conclusion is drawn upon testing the validities of some variants of the SE relation rather than its original form, and it appears…

Soft Condensed Matter · Physics 2021-11-24 Gan Ren , Yanting Wang

In this Research Note the Zwanzig's formulation of the Stokes-Einstein (SE) relation for simple atomistic fluids is re-examined. It is shown that the value of the coefficient in SE relation depends on the ratio of the transverse and…

Soft Condensed Matter · Physics 2020-04-22 Sergey Khrapak

We investigate the dynamical properties of liquid and supercooled liquid silicon, modeled using the Stillinger-Weber (SW) potential, to examine the validity of the Stokes-Einstein (SE) relation. Towards this end, we examine the relationship…

Materials Science · Physics 2025-03-25 Himani Rautela , Shiladitya Sengupta , Vishwas V. Vasisht

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

Molecular Dynamics simulations of high density hard sphere fluids clearly show a breakdown of the Stokes-Einstein equation (SE). This result has been conjectured to be due to the presence of mobile particles, i.e., ones which have the…

Materials Science · Physics 2009-11-11 Sanat K. Kumar , Grzegorz Szamel , Jack F. Douglas

The Stokes-Einstein-Debye (SED) relation is proposed to be breakdown in supercooled liquids by many studies. However, the conclusions are usually drawn by testing some variants of the SED relation rather than its original form. In this…

Soft Condensed Matter · Physics 2024-04-23 Gan Ren

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

The Stokes-Einstein-Sutherland (SES) equation is at the foundation of statistical physics, relating a particle's diffusion coefficient and size with the fluid viscosity, temperature and the boundary condition for the particle-solvent…

Molecular dynamics simulations are performed on a system of model linear polymers to look at the violations of Stokes-Einstein (SE) and Stokes-Einstein-Debye (SED) relations near the mode coupling theory transition temperature $T_c$ at…

Soft Condensed Matter · Physics 2020-11-10 Jalim Singh , Prasanth P. Jose

The breakdown of the Stokes-Einstein (SE) relation between diffusivity and viscosity at low temperatures is considered to be one of the hallmarks of glassy dynamics in liquids. Theoretical analyses relate this breakdown with the presence of…

Statistical Mechanics · Physics 2015-06-12 Shiladitya Sengupta , Smarajit Karmakar , Chandan Dasgupta , Srikanth Sastry

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

Molecular dynamics simulations have been performed on TIP4P/2005 supercooled water to investigate the molecular diffusion and shear viscosity at various timescales and assess the Stokes-Einstein (SE) and Stokes-Einstein-Debye (SED)…

Soft Condensed Matter · Physics 2019-08-12 Takeshi Kawasaki , Kang Kim

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

We study the Stokes-Einstein (SE) and the Stokes-Einstein-Debye (SED) relations using molecular dynamics simulations of the extended simple point charge model of water. We find that both the SE and SED relations break down at low…

Statistical Mechanics · Physics 2007-06-01 Marco G. Mazza , Nicolas Giovambattista , H. Eugene Stanley , Francis W. Starr

The dynamic properties of liquid phase-change materials (PCMs), such as viscosity $\eta$ and atomic self-diffusion coefficients D, play an essential role in ultrafast phase switching behavior of novel non-volatile phase-change memory…

Materials Science · Physics 2019-01-31 Shuai Wei , Zach Evenson , Moritz Stolpe , Pierre Lucas , C. Austen Angell

We report measurements of the shear viscosity $\eta$ in water up to $150\,\mathrm{MPa}$ and down to $229.5\,\mathrm{K}$. This corresponds to more than $30\,\mathrm{K}$ supercooling below the melting line. The temperature dependence is…

Soft Condensed Matter · Physics 2023-09-19 Alexandre Mussa , Romain Berthelard , Frédéric Caupin , Bruno Issenmann
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