相关论文: Comparing four hard-sphere approximations for the …

The melting line of the Weeks-Chandler-Andersen (WCA) system was recently determined accurately and compared to the predictions of four analytical hard-sphere approximations [Attia et al., J. Chem. Phys. 157, 034502 (2022)]. Here, we study…

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…

We apply second order Andersen-Weeks-Chandler perturbation theory to the one-component sticky-hard-spheres fluid. We compare the results with the mean spherical approximation, the Percus-Yevick approximation, two generalized Percus-Yevick…

We show that the dynamics of soft-sphere systems with purely repulsive interactions can be described by introducing an effective hard-sphere diameter determined using the Andersen-Weeks-Chandler approximation. We find that this…

Analyzing three approximate methods to locate liquid-solid coexistence in simple systems, an observation is made that all of them predict the same functional dependence of the temperature on density at freezing and melting of the…

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…

The Barker-Henderson perturbation theory is a bedrock of liquid-state physics, providing quantitative predictions for the bulk thermodynamic properties of realistic model systems. However, this successful method has not been exploited for…

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…

We propose a unified approach to study meson, nucleon and $\Delta$-baryon properties at zero and finite temperatures in the context of hard-wall AdS/QCD model. We first combine some previous works dealing with mesons and baryons separately,…

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…

We introduce a supercooled liquid model and obtain parameter-free quantitative predictions that are in excellent agreement with numerical simulations, notably in the hard low-temperature region characterized by strong deviations from…

The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model for computational studies of viscous liquids and the glass transition. For very long simulations the viscous KA system crystallizes, however, by phase separating into…

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…

Hydrogen is the most abundant element in the universe, and its properties under conditions of high temperature and pressure are crucial to understand the interior of of large gaseous planets and other astrophysical bodies. At ultra high…

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…

We perform Monte Carlo simulations on the hard-core attractive Yukawa system to test the Optimized Baxter Model that was introduced in [P.Prinsen and T. Odijk, J. Chem. Phys. 121, p.6525 (2004)] to study a fluid phase of spherical particles…

We formulate a predictive theory at the level of forces of activated relaxation in hard sphere fluids and thermal liquids that covers in a unified manner the apparent Arrhenius, crossover and deeply supercooled regimes. The alpha relaxation…

Building on the elastically collective nonlinear Langevin equation theory developed for hard spheres in the preceding paper I, we propose and implement a quasi-universal theory for the alpha relaxation of thermal liquids based on mapping…

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…

Ultrafast laser experiments yield increasingly reliable data on warm dense matter, but their interpretation requires theoretical models. We employ an efficient density functional neutral-pseudoatom hypernetted-chain (NPA-HNC) model with…