相关论文: Comparing zero-parameter theories for the WCA and …

By combining interface-pinning simulations with numerical integration of the Clausius-Clapeyron equation we determine accurately the melting-line coexistence pressure and fluid/crystal densities of the Weeks-Chandler-Andersen (WCA) system…

This paper studies numerically the Weeks-Chandler-Andersen (WCA) system, which is shown to obey hidden scale invariance with a density-scaling exponent that varies from below 5 to above 500. This unprecedented variation makes it…

We find that the density dependence of the glass transition temperature of Lennard-Jones (LJ) and Weeks-Chandler-Andersen (WCA) systems can be predicted from properties of the zero-temperature ($T=0$) glasses. Below a crossover density…

We present a detailed numerical simulation study of a two dimensional system of particles interacting via the Weeks-Chandler-Anderson potential, the repulsive part of the Lennard-Jones potential. With reduction of density, the system shows…

Determining the melting curves of materials up to high pressures has long been a challenge experimentally and theoretically. A large class of materials, including most metals, has been shown to exhibit hidden scale invariance, an…

We develop a microscopic theory to analyze the phase behaviour and compute correlation functions of dense assemblies of soft repulsive particles both at finite temperature, as in colloidal materials, and at vanishing temperature, a…

Despite extensive experimental and theoretical efforts, a concise quantitative theory to predict the occurrence of like-charge attraction (LCA) between polarizable spheres remains elusive. In this work, we first derive a novel three-point…

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.…

We present an application of Wertheim's Thermodynamic Perturbation Theory (TPT1) to a simple coarse grained model made of flexibly bonded Lennard-Jones monomers. We use both the Reference Hyper-Netted-Chain (RHNC) and Mean Spherical…

Conventional derivations of phase boundaries from the Clausius-Clapeyron (CC) relation often employ the constant latent heat approximation to maintain analytical functions of the sublimation and boiling curves. To address the complex…

It is shown that the transport coefficients (self-diffusion, shear viscosity, and thermal conductivity) of the Weeks-Chandler-Anderson (WCA) fluid along isotherms exhibit a freezing density scaling (FDS). The functional form of this FDS is…

Extending to continuous potentials a cleaving wall molecular-dynamics simulation method recently developed for the hard-sphere system [Phys.Rev.Lett 85, 4751 (2000)], we calculate the crystal-melt interfacial free energies, $\gamma$, for a…

We study thermal equilibrium of classical pointlike counterions confined between symmetrically charged walls at distance $d$. At very large couplings when the counterion system is in its crystal phase, a harmonic expansion of particle…

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…

We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…

We solve an infrared effective holographic model of a non-Fermi liquid at finite temperature that satisfies Luttinger's theorem and incorporates long-range Coulomb interactions. Motivated by the absence of a Luttinger-counting Fermi surface…

The pressure-temperature phase diagram of a one-component system, with particles interacting through a spherically symmetric pair potential in two dimensions is studied. The interaction consists of a hard core plus an additional repulsion…

The hard sphere model is widely used in description of fluids and solid media as a zero approximation to real systems. Despite the uniqueness of the model, few analytical results are known for it, both for the 2D and 3D cases. In present…

We study crystal nucleation of the Weeks-Chandler-Andersen (WCA) model, using the recently introduced Persistent Embryo Method (PEM). The method provides detailed characterization of pre-critical, critical and post-critical nuclei, as well…

We use numerical simulations to understand how random deviations from the ideal spherical shape affect the ability of hard particles to form fcc crystalline structures. Using a system of hard spheres as a reference, we determine the…