Heterogeneity in single-molecule observables in the study of supercooled liquids

LJ Kaufman - Annual review of physical chemistry, 2013 - annualreviews.org
Bulk approaches to studying heterogeneous systems obscure important details, as they
report average behavior rather than the distribution of behaviors in such environments …

Connection of translational and rotational dynamical heterogeneities with the breakdown of the Stokes-Einstein and Stokes-Einstein-Debye relations in water

MG Mazza, N Giovambattista, HE Stanley… - Physical Review E …, 2007 - APS
We study the Stokes-Einstein (SE) and the Stokes-Einstein-Debye (SED) relations, D t= k
BT∕ 6 π η R and D r= k BT∕ 8 π η R 3, where D t and D r are the translational and …

Fractional Stokes-Einstein and Debye-Stokes-Einstein relations in a network-forming liquid

SR Becker, PH Poole, FW Starr - Physical review letters, 2006 - APS
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 …

Excess entropy scaling of transport properties of Lennard-Jones chains

T Goel, CN Patra, T Mukherjee… - The Journal of chemical …, 2008 - pubs.aip.org
Excess-entropy scaling relationships for diffusivity and viscosity of Lennard-Jones chain
fluids are tested using molecular dynamics simulations for chain sizes that are sufficiently …

Glassy dynamics in a liquid of anisotropic molecules: Bifurcation of relaxation spectrum

S Kumar, S Sarkar, B Bagchi - The Journal of Chemical Physics, 2024 - pubs.aip.org
In experimental and theoretical studies of glass transition phenomena, one often finds a
sharp crossover in dynamical properties at a temperature T cr. A bifurcation of a relaxation …

Fast vibrational modes and slow heterogeneous dynamics in polymers and viscous liquids

F Puosi, A Tripodo, D Leporini - International Journal of Molecular …, 2019 - mdpi.com
Many systems, including polymers and molecular liquids, when adequately cooled and/or
compressed, solidify into a disordered solid, ie, a glass. The transition is not abrupt, featuring …

ESR evidence for 2 coexisting liquid phases in deeply supercooled bulk water

D Banerjee, SN Bhat, SV Bhat… - Proceedings of the …, 2009 - National Acad Sciences
Using electron spin resonance spectroscopy (ESR), we measure the rotational mobility of
probe molecules highly diluted in deeply supercooled bulk water and negligibly constrained …

Computational probes of molecular motion in the Lewis-Wahnström model for ortho-terphenyl

TG Lombardo, PG Debenedetti… - The Journal of chemical …, 2006 - pubs.aip.org
We use molecular dynamics simulations to investigate translational and rotational diffusion
in a rigid three-site model of the fragile glass former ortho-terphenyl, at 260 K⩽ T⩽ 346 K …

Observation of the slow, Debye-like relaxation in hydrogen-bonded liquids by dynamic light scattering

Y Wang, PJ Griffin, A Holt, F Fan… - The Journal of Chemical …, 2014 - pubs.aip.org
The slow, Debye-like relaxation in hydrogen-bonded liquids has largely remained a
dielectric phenomenon and has thus far eluded observation by other experimental …

Viscous flow and jump dynamics in molecular supercooled liquids. I. Translations

C De Michele, D Leporini - Physical Review E, 2001 - APS
The transport and relaxation properties of a molecular supercooled liquid on an isobar are
studied by molecular dynamics. The molecule is a rigid heteronuclear biatomic system. The …