Importance of many-body orientational correlations in the physical description of liquids

H Tanaka - Faraday discussions, 2013 - pubs.rsc.org
Liquids are often assumed to be homogeneous and isotropic at any lengthscale and
translationally invariant. The standard liquid-state theory is constructed on the basis of this …

The effect of hydrogen bonding on the diffusion of water in n-alkanes and n-alcohols measured with a novel single microdroplet method

JT Su, PB Duncan, A Momaya, A Jutila… - The Journal of chemical …, 2010 - pubs.aip.org
While the Stokes–Einstein (SE) equation predicts that the diffusion coefficient of a solute will
be inversely proportional to the viscosity of the solvent, this relation is commonly known to …

Influence of polydispersity on the relaxation mechanisms of glassy liquids

I Pihlajamaa, CCL Laudicina, LMC Janssen - Physical Review Research, 2023 - APS
State-of-the-art techniques for simulating deeply supercooled liquids require a high degree
of size polydispersity to be effective. While these techniques have enabled great insight into …

Even strong energy polydispersity does not affect the average structure and dynamics of simple liquids

TS Ingebrigtsen, JC Dyre - The Journal of Physical Chemistry B, 2023 - ACS Publications
Size-polydisperse liquids have become standard models for avoiding crystallization, thereby
enabling studies of supercooled liquids and glasses formed, eg, by colloidal systems. Purely …

Diffusion dynamics of water controlled by topology of potential energy surface inside carbon nanotubes

YC Liu, JW Shen, KE Gubbins, JD Moore, T Wu… - Physical Review B …, 2008 - APS
The effect of topology of single-walled carbon nanotubes (CNTs) on the diffusion dynamics
of water confined in the armchair and zigzag CNTs was investigated. It was found that the …

The linear relationship between diffusivity and crystallization kinetics in a deeply supercooled liquid Ni50Ti50 alloy

S An, Y Li, J Li, S Zhao, B Liu, P Guan - Acta Materialia, 2018 - Elsevier
The NiTi amorphous alloys are heated to melting (just above T g) using pulsed laser
irradiation to manufacture NiTi shape memory alloys (SMAs). It has been found that the …

Effect of size polydispersity on the nature of Lennard-Jones liquids

TS Ingebrigtsen, H Tanaka - The Journal of Physical Chemistry B, 2015 - ACS Publications
Polydisperse fluids are encountered everywhere in biological and industrial processes.
These fluids naturally show a rich phenomenology exhibiting fractionation and shifts in …

Energy Landscape, Antiplasticization, and Polydispersity Induced Crossover of Heterogeneity<? format?> in Supercooled Polydisperse Liquids

SE Abraham, SM Bhattacharrya, B Bagchi - Physical review letters, 2008 - APS
Polydispersity is found to have a significant effect on the potential energy landscape; the
average inherent structure energy decreases with polydispersity. Increasing polydispersity …

Comparison of dynamical heterogeneity in hard-sphere and attractive glass formers

DR Reichman, E Rabani… - The Journal of Physical …, 2005 - ACS Publications
Using molecular dynamics simulations, we have determined that the nature of dynamical
heterogeneity in jammed liquids is very sensitive to short-ranged attractions. Weakly …

Breakdown of universal Lindemann criterion in the melting of Lennard-Jones polydisperse solids

S Sarkar, C Jana, B Bagchi - Journal of Chemical Sciences, 2017 - Springer
It is commonly believed that melting occurs when mean square displacement (MSD) of a
particle of crystalline solid exceeds a threshold value. This is known as the Lindemann …