相关论文: Gas-liquid critical point in ionic fluids

Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…

Computing the solubility of crystals in a solvent using atomistic simulations is notoriously challenging due to the complexities and convergence issues associated with free-energy methods, as well as the slow equilibration in…

We consider second-order phase transitions in which the order parameter is a replicated overlap matrix. We focus on a tricritical point that occurs in a variety of mean-field models and that, more generically, describes higher order…

We discuss a phenomenological method which allows to determine the singular asymptotic behaviours for a pure fluid at equilibrium, when the liquid-gas critical point and the tangent plane to the characteristic surface of this point are…

We describe numerical simulations of the stochastic diffusion equation with a conserved charge. We focus on the dynamics in the vicinity of a critical point in the Ising universality class. The model we consider is expected to describe the…

We consider the liquid-vapor type phase transition for fluids confined within spatially periodic external fields. For a fluid in d=3 dimensions, the periodic field induces an additional phase, characterized by large density modulations…

In this supplementary paper we present some details on the solid-liquid interface detection, the deduction of the non-equilibrium free energy, the analysis of the granular temperature and energy per mode, a validation of the small slope…

We experimentally study the critical properties of the non-equilibrium solid-liquid-like transition that takes place in vibrated granular matter. The critical dynamics is characterized by the coupling of the density field with the…

Using first principles simulations we have investigated the structural and bonding properties of dense fluid oxygen up to 180 GPa. We have found that band gap closure occurs in the molecular liquid, with a "slow" transition from a…

The equation of state of a dilute two-component asymmetric Fermi gas at unitarity is subject to strong constraints, which affect the spatial density profiles in atomic traps. These constraints require the existence of at least one…

Using a combination of Monte Carlo techniques, we locate the liquid--vapor critical point of adhesive hard spheres. We find that the critical point lies deep inside the gel region of the phase diagram. The (reduced) critical temperature and…

Pair potentials that are bounded at the origin provide an accurate description of the effective interaction for many systems of dissolved soft macromolecules (e.g., flexible dendrimers). Using numerical free-energy calculations, we…

We explore an idealized theoretical model for the transport of ions within highly asymmetric ionic liquid mixtures. A primitive model (PM)-inspired system serves as a representative for asymmetric ionic materials (such as liquid crystalline…

We introduce a new quantity to probe the glass transition. This quantity is a linear generalized compressibility which depends solely on the positions of the particles. We have performed a molecular dynamics simulation on a glass forming…

Using the approach formulated in the previous papers of the author, a consistent procedure is developed for calculating non-classical asymptotic power terms in the total and the direct correlation functions of a critical fluid. Analyzing…

Ionic fluids under conductive confinement are central to technologies such as batteries, supercapacitors, and fuel cells. Their interfacial behavior governs energy storage and electrochemical processes. Despite their importance, the…

Effective pair interactions with a soft-repulsive component are a well-known feature of polymer solutions and colloidal suspensions, but they also provide a key to interpret the high-pressure behaviour of simple elements. We have computed…

The chemical potential of a component in a solution is defined as the free energy change as the amount of the component changes. Computing this fundamental thermodynamic property from atomistic simulations is notoriously difficult, because…

The problem of the gas-liquid heterophase fluctuations of a fluid within the critical and supercritical regions is revisited. To describe the thermodynamics and structure of the heterophase fluid, the mesoscopic equation of state is…

Oxygen, one of the most common and important elements in nature, has an exceedingly well explored phase diagram under pressure, up and beyond 100 GPa. At low temperatures, the low pressures antiferromagnetic phases below 8 GPa where O$_2$…