Related papers: Thermodynamic derivation of scaling at the liquid-…
The behavior of the diameter of the coexistence curve in terms of the entropy and the corresponding diameter are investigated. It is shown that the diameter of the coexistence curve in term of the entropy is sensitive to the change in the…
Relating thermodynamic and kinetic properties is a conceptual challenge with many practical benefits. Here, based on first principles, we derive a rigorous inequality relating the entropy and the dynamic propagator of particle…
Following a cell-method due to van Kampen for the calculation of a coarse-grained free energy functional for the van der Waals gas, we compute a corresponding entropy functional from microscopic principles. This entropy functional is one of…
A relation between vibrational entropy and particles mean square displacement is derived in super-cooled liquids, assuming that the main effect of temperature changes is to rescale the vibrational spectrum. Deviations from this relation, in…
The long wavelength diffusion coefficient of a critical fluid confined between two parallel plates separated by a distance L is strongly affected by the finite size. Finite size scaling leads us to expect that the vanishing of the diffusion…
Results from the state-of-the-art molecular dynamics simulations are presented for both equilibrium and nonequilibrium dynamics following vapor-liquid transition in a single component Lennard-Jones system. We have fixed the overall density…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
An electronically coarse-grained model for water reveals a persistent vestige of the liquid-gas transition deep into the supercritical region. A crossover in the density dependence of the molecular dipole arises from the onset of…
The length-scale dependence of the dynamic entropy is studied in a molecular dynamics simulation of a binary Lennard-Jones liquid above the mode-coupling critical temperature $T_c$. A number of methods exist for estimating the entropy of…
Based on a newly derived microscopic fractional quantum Hall edge model, we study its thermodynamics at finite temperature. For the dressed energy spectrum a critical energy scale determined by the temperature exists, below which the…
We numerically study thermodynamic and structural properties of the one-component Gaussian core model (GCM) at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the…
A pure fluid at its critical point shows a dramatic slow-down in its dynamics, due to a divergence of the order-parameter susceptibility and the coefficient of heat transport. Under isothermal conditions, however, sound waves provide the…
We study the role of multi-particle spatial correlations in the appearance of a liquid-vapour critical point. Our analysis is based on the exact infinite hierarchy of equations relating spatial integrals of $(k+1)$-particle correlations to…
A simple fluid, described by point-like particles interacting via the Lennard-Jones potential, is considered under confinement in a slit geometry between two walls at distance Lz apart for densities inside the vapor-liquid coexistence…
Local thermal equilibrium generally implies the absence of heat flux within a fluid. We find the relations between a set of thermodynamic variables of a fluid on a general spacetime and those defined on a conformally connected spacetime,…
The interface between a pure liquid and its vapor is usually close to saturation temperature, hence strongly hindering any thermocapillary flow. In contrast, when the gas phase contains an inert gas such as air, surface-tension-driven…
We consider a family of thermodynamic models such that the energy density can be expressed as an asymptotic expansion in the scale formal parameter and whose terms are suitable functions of the volume density. We examine the possibility to…
A thermodynamic measure of the fragility of liquids has recently (Ito et al ref.1) been defined in terms of the temperature dependence of the excess entropy of liquid over crystal, scaled by the excess entropy at the glass transition…
We regularize the potential distribution framework to calculate the excess free energy of liquid water simulated with the BLYP-D density functional. The calculated free energy is in fair agreement with experiments but the excess internal…
The extension of thermodynamic principles to active matter remains a challenge due to the non-equilibrium nature inherent to active systems. In this study, we introduce a framework to assess entropy in our minimal macroscopic experiment…