Related papers: Thermal and structural properties of ionic fluids
The role of Coulomb interaction between the mobile particles in ionic conductors is still under debate. To clarify this aspect we perform Monte Carlo simulations on two simple lattice models (Counter Ion Model and Random Energy Model) which…
It has been proposed that multifragmentation can be related to the liquid-gas phase transition of nuclear matter. We study the statistical properties of finite nuclear matter near the phase transition with the help of a Lattice Gas Model…
The structural properties of strongly coupled ions in dense plasmas with moderately to strongly degenerate electrons are investigated in the framework of the one-component plasma model of ions interacting through a screened pair interaction…
The formation of correlated structures is of importance in many diverse contexts such as strongly coupled plasmas, soft matter, and even biological mediums. In all these contexts the dynamics are mainly governed by electrostatic…
Thermodynamic and electronic properties are obtained for a lattice-gas model fluid with self-consistent, partial, occupation of its sites; the self consistency consists in obtaining ionic configurations from grand-canonical Monte Carlo…
The persistent current and charge stiffness of a one-dimensional Luttinger liquid on a ring threaded by a magnetic flux are calculated by Monte Carlo simulation. By changing the random impurity potential strength and the electron-electron…
We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…
The term "long-range interactions" refers to electrostatic and magnetostatic potential energies between atoms and molecules with mutual distances ranging from a few tens to a few hundreds Bohr radii. The involved energies are much smaller…
Considering the interactions of two arbitrary particles, we obtain an internal energy expression of the complex system having long-range interactions. Based on the postulate of "equal-probability principle" for all microstates, the…
Recent experimental and theoretical results have shown the existence of a liquid-liquid phase transition in isotropic systems, such as biological solutions and colloids, whose interaction can be represented via an effective potential with a…
Machine learning models for the potential energy of multi-atomic systems, such as the deep potential (DP) model, make possible molecular simulations with the accuracy of quantum mechanical density functional theory, at a cost only…
For a class of nonequilibrium systems, called driven lattice gases, we study what happens when two systems are kept in contact and allowed to exchange particles with the total number of particles conserved. Both for attractive and repulsive…
Experiments on quasi-one-dimensional systems such as quantum wires and metallic chains on surfaces suggest the existence of electron-electron interactions of substantial range and hence physics beyond the Hubbard model. We therefore…
In a recent article, Wang et al (Phys. Chem. Chem. Phys., 22, 10624 (2020)) introduced a new class of interparticle potential for molecular simulations. The potential is defined by a single range parameter, eliminating the need to decide…
Accurate and efficient theoretical techniques for describing ionic fluids are highly desirable for many applications across the physical, biological and materials sciences. With a rigorous statistical mechanical foundation, classical…
We study the phase diagram and critical properties of quantum Ising chains with long-range ferromagnetic interactions decaying in a power-law fashion with exponent $\alpha$, in regimes of direct interest for current trapped ion experiments.…
We investigate the liquid-vapor interface of the restricted primitive model (RPM) for an ionic fluid using a density-functional approximation based on correlation functions of the homogeneous fluid as obtained from the mean-spherical…
The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and…
Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore…
The influence of long-range Coulomb interactions on the properties of one-dimensional (1D) strongly correlated electron systems in vicinity of the metal-insulator phase transition is considered. It is shown that unscreened repulsive Coulomb…