Does the Adam-Gibbs relation hold in simulated supercooled liquids?

M Ozawa, C Scalliet, A Ninarello… - The Journal of chemical …, 2019 - pubs.aip.org
We perform stringent tests of thermodynamic theories of the glass transition over the
experimentally relevant temperature regime for several simulated glass-formers. The swap …

Understanding the origin of the breakdown of the Stokes–Einstein relation in supercooled water at different temperature–pressure conditions

V Dubey, S Erimban, S Indra… - The Journal of Physical …, 2019 - ACS Publications
A recent experiment has measured the viscosity of water down to approximately 244 K and
up to 300 MPa. The correct viscosity and translational diffusivity data at various temperature …

Decoupling of translational diffusion from the viscosity of supercooled water: Role of translational jump diffusion

S Dueby, V Dubey… - The Journal of Physical …, 2019 - ACS Publications
Some experiments have witnessed gradual decoupling of viscosity from the translational self-
diffusion of supercooled water with decreasing temperature. This indicates the breakdown of …

Two-step relaxation and the breakdown of the Stokes-Einstein relation in glass-forming liquids

B Mei, Y Lu, L An, ZG Wang - Physical Review E, 2019 - APS
It is well known that glass-forming liquids exhibit a number of anomalous dynamical
phenomena, most notably a two-step relaxation in the self-intermediate scattering function …

[PDF][PDF] Importance of translational jump in diffusion of hydrophobic solute in supercooled water: Solute size dependence

V Dubey, S Dueby, S Erimban… - J. Indian Chem …, 2019 - researchgate.net
It has been reported in many experimental and simulation studies that small solutes–
dissolved in supercooled water (or supercooled liquid in general)–violates the Stokes …

Classification of mobile-and immobile-molecule timescales for the Stokes–Einstein and Stokes–Einstein–Debye relations in supercooled water

T Kawasaki, K Kim - Journal of Statistical Mechanics: Theory and …, 2019 - iopscience.iop.org
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 …

Transport properties and abnormal breakdown of the Stokes-Einstein relation in computer simulated Al72Ni16Co12 metallic melt

YH Zhou, XJ Han, JG Li - Journal of Non-Crystalline Solids, 2019 - Elsevier
Molecular dynamic simulations were performed for liquid Al 72 Ni 16 Co 12 to study the
transport properties and the Stokes-Einstein relation (SER). It was observed that the self …