相关论文: Liquid-vapor coexistence in square-well fluids: an…
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…
Molecular dynamics simulations are used to examine the relationship between water-like anomalies and the liquid-liquid critical point in a family of model fluids with multi-Gaussian, core-softened pair interactions. The core-softened pair…
Using Monte Carlo simulation techniques, we calculate the phase diagram for a square shoulder-square well potential in two dimensions that has been previously shown to exhibit liquid anomalies consistent with a metastable liquid-liquid…
This work presents a pedagogical derivation of the thermodynamics of a van der Waals fluid by explicitly incorporating pairwise molecular interactions and the finite size of particles into the statistical-mechanical description. Starting…
This series of papers is devoted to identifying and explaining the properties of strongly correlating liquids, i.e., liquids with more than 90% correlation between their virial W and potential energy U fluctuations in the NVT ensemble.…
In this work, the Thermodynamic Geometry (TG) of quantum fluids (QF) is analyzed. We present results for two models. The first one is a quantum hard-sphere fluid (QHS) whose Helmholtz free energy is obtained from Path Integrals Monte Carlo…
Partial pair-correlation functions of colloidal suspensions with continuous polydispersity can be challenging to characterize from optical microscopy or computer simulation data due to inadequate sampling. As a result, it is common to adopt…
Computational studies of liquid water and its phase transition into vapor have traditionally been performed using classical water models. Here we utilize the Deep Potential methodology -- a machine learning approach -- to study this…
To study the possibility of a fluid-fluid phase transition, we analyze a three-dimensional soft-core isotropic potential for a one-component system. We utilize two independent numerical approaches, (i) integral equation in the…
A microscopic approach to the investigation of the behaviour of a symmetrical binary fluid mixture in the vicinity of the vapour-liquid critical point is proposed. It is shown that the problem can be reduced to the calculation of the…
Monte Carlo simulations within the grand canonical ensemble are used to explore the liquid-vapour coexistence curve and critical point properties of the Lennard-Jones fluid. Attention is focused on the joint distribution of density and…
High temperature approximation (HTA) is used to describe the phase behavior of polydisperse multi-Yukawa hard-sphere chain fluid mixtures with chain length polydispersity. It is demonstrated that in the frames of the HTA the model belongs…
The exact statistical-mechanical solution for the equilibrium properties, both thermodynamic and structural, of one-dimensional fluids of particles interacting via the triangle-well and the ramp potentials is worked out. In contrast to…
We consider the Asakura-Oosawa-Vrij model of hard sphere colloids and ideal polymer coils in contact with a planar hard wall at (colloidal) liquid-gas coexistence. Using extensive numerical density functional calculations, the liquid-gas,…
We consider the O(4) symmetric point in the phase diagram of an electron system in which there is a transition between d_{x^2 - y^2} density-wave order and d_{x^2 - y^2} superconductivity. If the pseudospin $SU(2)\subset O(4)$ symmetry is…
A system of identical particles interacting through an isotropic potential that allows for two preferred interparticle distances is numerically studied. When the parameters of the interaction potential are adequately chosen, the system…
As is well known, approximate integral equations for liquids, such as the hypernetted chain (HNC) and Percus--Yevick (PY) theories, are in general thermodynamically inconsistent in the sense that the macroscopic properties obtained from the…
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…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
Using computer simulations and a thermodynamically self consistent integral equation we investigate the phase behaviour and thermodynamic anomalies of a fluid composed of spherical particles interacting via a two-scale ramp potential (a…