Perspective: Excess-entropy scaling

JC Dyre - The Journal of chemical physics, 2018 - pubs.aip.org
This article gives an overview of excess-entropy scaling, the 1977 discovery by Rosenfeld
that entropy determines properties of liquids like viscosity, diffusion constant, and heat …

What is a simple liquid?

TS Ingebrigtsen, TB Schrøder, JC Dyre - Physical Review X, 2012 - APS
This paper is an attempt to identify the real essence of simplicity of liquids in John Locke's
understanding of the term. Simple liquids are traditionally defined as many-body systems of …

[HTML][HTML] Perspective: Searching for simplicity rather than universality in glass-forming liquids

K Niss, T Hecksher - The Journal of chemical physics, 2018 - pubs.aip.org
This article gives an overview of experimental results on dynamics in bulk glass-forming
molecular liquids. Rather than looking for phenomenology that is universal, in the sense that …

Departures from perfect isomorph behavior in Lennard-Jones fluids and solids

DM Heyes, D Dini, S Pieprzyk… - The Journal of Chemical …, 2023 - pubs.aip.org
Isomorphs are lines on a fluid or solid phase diagram along which the microstructure is
invariant on affine density scaling of the molecular coordinates. Only inverse power (IP) and …

[HTML][HTML] Communication: Thermodynamics of condensed matter with strong pressure-energy correlations

TS Ingebrigtsen, L Bøhling, TB Schrøder… - The Journal of Chemical …, 2012 - pubs.aip.org
We show that for any liquid or solid with strong correlation between its NVT virial and
potential-energy equilibrium fluctuations, the temperature is a product of a function of excess …

Isomorphs in model molecular liquids

TS Ingebrigtsen, TB Schrøder… - The Journal of Physical …, 2012 - ACS Publications
Isomorphs are curves in the phase diagram along which a number of static and dynamic
quantities are invariant in reduced units (Gnan, N.; et al. J. Chem. Phys. 2009, 131, 234504) …

Comprehensive representation of the Lennard-Jones equation of state based on molecular dynamics simulation data

S Pieprzyk, AC Brańka, S Maćkowiak… - The Journal of chemical …, 2018 - pubs.aip.org
The equation of state (EoS) of the Lennard-Jones fluid is calculated using a new set of
molecular dynamics data which extends to higher temperature than in previous studies. The …

Kinetic criteria of glass-formation, pressure dependence of the glass-transition temperature, and the Prigogine–Defay ratio

JWP Schmelzer, TV Tropin - Journal of Non-Crystalline Solids, 2015 - Elsevier
An analysis of some current topics of discussion in the theoretical modeling of the glass
transition and of glass properties is given. In the first part, a general model-independent …

Isochronal superposition and density scaling of the intermolecular dynamics in glass-forming liquids with varying hydrogen bonding propensity

K Adrjanowicz, J Pionteck, M Paluch - RSC advances, 2016 - pubs.rsc.org
We have tested the idea of thermodynamic scaling T− 1ργ and isochronal superposition in
glass-forming liquids with varying propensity to form hydrogen bonds. The samples under …

Statistical mechanics of Roskilde liquids: Configurational adiabats, specific heat contours, and density dependence of the scaling exponent

NP Bailey, L Bøhling, AA Veldhorst… - The Journal of …, 2013 - pubs.aip.org
We derive exact results for the rate of change of thermodynamic quantities, in particular, the
configurational specific heat at constant volume, CV, along configurational adiabats (curves …