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Related papers: "Isomorphs" in liquid state diagrams

200 papers

Simple liquids are traditionally defined as many-body systems of classical particles interacting via radially symmetric pair potentials. We suggest that a simple liquid should be defined instead by the property of having strong correlation…

Soft Condensed Matter · Physics 2012-12-19 Trond S. Ingebrigtsen , Thomas B. Schrøder , Jeppe C. Dyre

We present molecular dynamics simulations studying the influence of pressure on the correlation between the constant-volume thermal equilibrium fluctuations of virial W and potential energy U, focusing on liquids that are not strongly…

Soft Condensed Matter · Physics 2011-04-05 Jon J. Papini , Thomas B. Schrøder , Jeppe C. Dyre

This paper generalizes isomorph theory to systems that are not in thermal equilibrium. The systems are assumed to be R-simple, i.e., have a potential energy that as a function of all particle coordinates $\textbf{R}$ obeys the…

Soft Condensed Matter · Physics 2020-10-06 Jeppe C. Dyre

Systems of particles interacting via inverse-power law potentials have an invariance with respect to changes in length and temperature, implying a correspondence in the dynamics and thermodynamics between different `isomorphic' sets of…

Statistical Mechanics · Physics 2016-08-03 Thibaud Maimbourg , Jorge Kurchan

We describe a method to determine whether a material has isomorphs in its thermodynamic phase diagram. Isomorphs are state points for which various properties are invariant in reduced units. Such materials are commonly identified from…

Soft Condensed Matter · Physics 2017-09-13 D. Fragiadakis , C. M. Roland

Starting with a formally exact diagrammatic kinetic theory for the equilibrium correlation functions of particle density and current fluctuations for a monatomic liquid, we develop a theory for high density liquids whose interatomic…

Statistical Mechanics · Physics 2015-06-17 Kevin R. Pilkiewicz , Hans C. Andersen

Spatial correlations for sheared isothermal elastic liquids and granular liquids are theoretically investigated. Using the generalized fluctuating hydrodynamics, correlation functions for both the microscopic scale and the macroscopic scale…

Statistical Mechanics · Physics 2009-11-13 Michio Otsuki , Hisao Hayakawa

The dynamical correlations of a model consisting of particles constrained on the line and interacting with a nearest--neighbour Lennard--Jones potential are computed by molecular--dynamics simulations. A drastic qualitative change of the…

Statistical Mechanics · Physics 2009-11-11 Stefano Lepri , Paolo Sandri , Antonio Politi

Multi-particle collision dynamics is an appealing numerical technique aiming at simulating fluids at the mesoscopic scale. It considers molecular details in a coarse-grained fashion and reproduces hydrodynamic phenomena. Here, the…

Soft Condensed Matter · Physics 2019-03-28 H. Híjar

We investigate the variation of the driving force for crystallization of a supercooled liquid along isomorphs, curves along which structure and dynamics are invariant. The variation is weak, and can be predicted accurately for the…

Statistical Mechanics · Physics 2017-06-23 Ulf R. Pedersen , Karolina Adrjanowicz , Kristine Niss , Nicholas P. Bailey

Inhomogeneity of ion correlation widely exists in many physicochemical, soft matter, and biological systems. Here, we apply the modified Gaussian renormalized fluctuation theory to study the classic example of the vapor-liquid interface of…

Soft Condensed Matter · Physics 2022-11-22 Nikhil R. Agrawal , Rui Wang

We study hidden scale invariance in the glassy phase of the Kob-Andersen binary Lennard-Jones system. After cooling below the glass transition, we generate a so-called isomorph from the fluctuations of potential energy and virial in the NVT…

Disordered Systems and Neural Networks · Physics 2019-12-04 Yonglun Jiang , Eric R. Weeks , Nicholas P. Bailey

The origin of the dramatic changes in the behavior of liquids as they approach their vitreous state - increases of many orders of magnitude in transport properties and dynamic time scales - is a major unsolved problem in condensed matter.…

Soft Condensed Matter · Physics 2015-06-23 R. Casalini , D. Fragiadakis , C. M. Roland

We use molecular simulations to demonstrate the connection between transverse water-water correlations and wetting phenomena for a range of hydrophobic to hydrophilic solid surfaces.Near superhydrophobic surfaces, the correlations are long…

Soft Condensed Matter · Physics 2014-09-10 Rahul Godawat , Sumanth N. Jamadagni , Vasudevan Venkateshwaran , Shekhar Garde

We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…

Soft Condensed Matter · Physics 2009-10-31 A. Scala , M. Reza Sadr-Lahijany , N. Giovambattista , S. V. Buldyrev , H. E. Stanley

A diagrammatic kinetic theory of density fluctuations in simple dense liquids at long times, described in the preceding paper, is applied to a high density Lennard-Jones liquid to calculate various equilibrium time correlation functions.…

Statistical Mechanics · Physics 2015-06-18 Kevin R. Pilkiewicz , Hans C. Andersen

We performed molecular dynamics simulations to study relaxation phenomena during vapor-liquid transitions in a single component Lennard-Jones system. Results from two different overall densities are presented; one in the neighborhood of the…

Statistical Mechanics · Physics 2019-06-04 Sutapa Roy , Arabinda Bera , Suman Majumder , Subir K. Das

We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger distances. The phase diagram (obtained…

Statistical Mechanics · Physics 2009-10-31 E. A. Jagla

Isomorphs are curves in the thermodynamic phase diagram of invariant excess entropy, structure, and dynamics, while pseudoisomorphs are curves of invariant structure and dynamics, but not of the excess entropy. The latter curves have been…

Soft Condensed Matter · Physics 2024-10-30 Zahraa Sheydaafar , Jeppe C. Dyre , Thomas B. Schrøder

The invariance of several structural and dynamical properties of the Lennard-Jones (LJ) system along the freezing and melting lines is interpreted in terms of the isomorph theory. First the freezing/melting lines for LJ system are shown to…

Soft Condensed Matter · Physics 2017-01-04 Lorenzo Costigliola , Thomas B. Schrøder , Jeppe C. Dyre