Related papers: A new analytic statistical mechanical model for po…
A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…
Some existing approaches to modeling the thermodynamics of moist air make approximations that break $\textit{thermodynamic consistency}$, such that the resulting thermodynamics do not obey the 1st and 2nd laws or have other inconsistencies.…
A thermodynamic framework that predicts the thermal conductivity $\lambda$ of simple fluids beyond the dilute-gas limit is introduced. By generalizing the transition-rate approach of particles on a lattice to conserved quantities in…
The new mathematical framework based on the free energy of pure classical fluids presented in [R. D. Rohrmann, Physica A 347, 221 (2005)] is extended to multi-component systems to determine thermodynamic and structural properties of…
It has been recently conjectured that bridge functions remain nearly invariant along phase diagram lines of constant excess entropy for the broad class of R-simple liquids. To test this hypothesis, the bridge functions of Yukawa systems are…
We study a one-dimensional fluid of hard-rods interacting each other via binary inelastic collisions and a short ranged square-well potential. Upon tuning the depth and the sign of the well, we investigate the interplay between dissipation…
A simple practical formula for the shear viscosity coefficient of Yukawa fluids is presented. This formula allows estimation of the shear viscosity in a very extended range of temperatures, from the melting point to $\simeq 100$ times the…
The pair-interactions U_{ij}(r) determine the thermodynamics and linear transport properties of matter via the pair-distribution functions (PDFs), i.e., g_{ij}(r). Great simplicity is achieved if U_{ij}(r) could be directly used to predict…
Ultracold polar molecules in multilayered systems have been experimentally realized very recently. While experiments study these systems almost exclusively through their chemical reactivity, the outlook for creating and manipulating exotic…
Approximate analytical solutions of the Dirac equation are obtained for the Yukawa potential plus a tensor interaction with any $\kappa$-value for the cases having the Dirac equation pseudospin and spin symmetry. The potential describing…
Statistical description of hydrodynamic processes for ionic melts is proposed with taking into account polarization effects caused by the deformation of external ionic shells. This description is carried out by means of the Zubarev…
Thermodynamic perturbation theory for central-force (TPT-CF) type of associating potential is used to study the phase behavior of symmetric binary mixture of associating particles with spherically symmetric interaction. The model is…
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…
Monte Carlo simulations are presented for a coarse-grained model of real quadrupolar fluids. Molecules are represented by particles interacting with Lennard-Jones forces plus the thermally averaged quadrupole-quadrupole interaction. The…
Two liquid state theories, the self-consistent Ornstein-Zernike equation (SCOZA) and the hierarchical reference theory (HRT) are shown, by comparison with Monte Carlo simulations, to perform extremely well in predicting the liquid-vapour…
Dusty plasmas represent a powerful playground to study the collective dynamics of strongly coupled systems with important interdisciplinary connections to condensed matter physics. Due to the pure Yukawa repulsive interaction between dust…
We present a mechanistic model for a Newtonian fluid called fluid particle dynamics. By analyzing the concept of ``fluid particle'' from the point of view of a Voronoi tessellation of a molecular fluid, we propose an heuristic derivation of…
We present a study of the structural properties of the crystalline phases for a planar bilayer of particles interacting via repulsive Yukawa potentials in the weak screening region. The study is done with Monte Carlo computations and the…
Atmospheric pressure helium plasmas are investigated through molecular dynamics simulations at room temperature (300 K) for various ionization fractions ($\chi_i = 10^{-1} - 10^{-5}$) in the strongly coupled regime (ion coupling parameter,…
A simple, practical model for computing the equilibrium thermodynamics and structure of jellium by classical strong coupling methods is proposed. An effective pair potential and coupling constant are introduced, incorporating the ideal gas,…