Breakdown of the Stokes–Einstein relation in supercooled water: The jump-diffusion perspective

V Dubey, S Dueby, S Daschakraborty - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Although water is the most ubiquitous liquid it shows many thermodynamic and dynamic
anomalies. Some of the anomalies further intensify in the supercooled regime. While many …

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 …

Continuous-time random-walk approach to supercooled liquids. I. Different definitions of particle jumps and their consequences

J Helfferich, F Ziebert, S Frey, H Meyer, J Farago… - Physical Review E, 2014 - APS
Single-particle trajectories in supercooled liquids display long periods of localization
interrupted by “fast moves.” This observation suggests a modeling by a continuous-time …

Facilitation, complexity growth, mode coupling, and activated dynamics in supercooled liquids

SM Bhattacharyya, B Bagchi… - Proceedings of the …, 2008 - National Acad Sciences
In low-temperature-supercooled liquids, below the ideal mode-coupling theory transition
temperature, hopping and continuous diffusion are seen to coexist. Here, we present a …

Single particle jumps in a binary Lennard-Jones system below the glass transition

K Vollmayr-Lee - The Journal of chemical physics, 2004 - pubs.aip.org
We study a binary Lennard-Jones system below the glass transition with molecular
dynamics simulations. To investigate the dynamics we focus on events (jumps) where a …

Reorientational relaxation and rotational–translational coupling in water clusters in a dc external electric field

A Vegiri - Journal of molecular liquids, 2004 - Elsevier
Molecular dynamics simulations have been carried out for small water clusters (N= 16, 32,
64) in a dc electric field at T= 200 K. It was shown that for relatively weak fields, there was a …

Bridging the gap between the mode coupling and the random first order transition theories of structural relaxation in liquids

SM Bhattacharyya, B Bagchi, PG Wolynes - Physical Review E—Statistical …, 2005 - APS
A unified treatment of structural relaxation in a deeply supercooled glassy liquid is
developed which extends the existing mode coupling theory (MCT) by incorporating, in a …

[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 …

Dynamic response of liquid water to an external static electric field at T= 250 K

A Vegiri - Journal of molecular liquids, 2004 - Elsevier
The effect of uniform and uniaxial dc electric field in the range between 0.15× 107 and 1.5×
107 V/cm on supercooled water at T= 250 K is examined by means of molecular dynamics …

Subquadratic wavenumber dependence of the structural relaxation of supercooled liquid in the crossover regime

SM Bhattacharyya, B Bagchi… - The Journal of chemical …, 2010 - pubs.aip.org
As a liquid is progressively supercooled toward its glass transition temperature, an intriguing
weakening of the wavenumber (q) dependence of the structural relaxation time τ (q) in the …