Related papers: Phase behaviour in ionic solutions: restricted pri…
In this paper we extend the familiar continuum electrostatic model with a perturbation to the usual macroscopic boundary condition. The perturbation is based on the mean spherical approximation (MSA), to derive a multiscale hydration-shell…
In a series of publications the Cummings-Stell model (CSM), for a binary mixture of associative fluids with steric effects, has been solved analytically using the Percus-Yevick approximation (PYA). The solution consists in a square well…
We study a model for an argon-like fluid parameterised in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behaviour of the model is obtained from the thermodynamically self-consistent Ornstein-Zernike…
Nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and have to be…
One method for computationally determining phase boundaries is to explicitly simulate a direct coexistence between the two phases of interest. Although this approach works very well for fluid-fluid coexistences, it is often considered to be…
Phase behavior of the Yukawa hard-sphere polydisperse mixture with high degree of polydispersity is studied using high temperature approximation (HTA) and mean spherical approximation (MSA). We have extended and applied the scheme developed…
Fast magnetic reconnection plays a fundamental role in driving explosive dynamics and heating in the solar chromosphere. The reconnection time scale of traditional models is shortened at the onset of the coalescence instability, which forms…
Compatibilized polymer blends are a complex, yet versatile and widespread category of material. When the components of a binary blend are immiscible, they are typically driven towards a macrophase-separated state, but with the introduction…
We present a new model of warm dense matter that represents an intermediate approach between the relative simplicity of ''one-ion'' average atom models and the more realistic but computationally expensive ab initio simulation methods.…
A hybrid PIC-fluid model is proposed for three dimensional numerical simulation of laser-plasma interaction. Ions are treated kinetically, electrons as a ten-moment fluid, capturing ion-scale dynamics, pressure anisotropy, and…
We study the k-space fluctuations of the waveaction about its mean spectrum in the turbulence of dispersive waves. We use a minimal model based on the Random Phase Approximation (RPA) and derive evolution equations for the arbitrary-order…
The accuracy of the constrained random phase approximation(cRPA) method is examined in multi-orbital Hubbard models containing all possible on-site density-density interactions. Using DMFT, we show that the effective model constructed using…
Understanding the interplay between screening, electronic correlations, and collective excitations is essential for the design of two-dimensional quantum materials. Here, we present a comprehensive first-principles study of more than 60…
The direct random-phase approximation (dRPA) is used to calculate and compare atomization energies for the HEAT set and 10 selected molecules of the G2-1 set using both plane waves and Gaussian-type orbitals. We describe detailed procedures…
This work presents a unified fluid modeling framework for reacting flows coupled with nonthermal plasmas (NTPs). Building upon the gas-plasma kinetics solver, ChemPlasKin, and the CFD library, OpenFOAM, the integrated solver, reactPlasFOAM,…
The status of different extensions of the Random Phase Approximation (RPA) is reviewed. The general framework is given within the Equation of Motion Method and the equivalent Green's function approach for the so-called Self-Consistent RPA…
Random Phase Approximation (RPA) is the theory most commonly used to describe the excitations of many-body systems. In this article, the secular equations of the theory are obtained by using three different approaches: the equation of…
Monte Carlo simulations at constant pressure are performed to study coexistence and interfacial properties of the liquid-solid transition in hard spheres and in colloid-polymer mixtures. The latter system is described as a one-component…
Using a perturbative approach, an evolution equation for the space charge density, correct up to the third order, is deduced for arbitrary initial density profiles of the electron and ion fluids in a cold nonrelativistic plasma. The…
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…