Related papers: The EXP pair-potential system. II. Fluid phase iso…
The problem is addressed of defining the values of functions, whose variables tend to infinity, from the knowledge of these functions at asymptotically small variables close to zero. For this purpose, the extrapolation by means of different…
The evolution of the interface between two ideal dielectric liquids in a strong vertical electric field is studied. It is found that a particular flow regime, for which the velocity potential and the electric field potential are linearly…
We present new method for studying the equilibrium properties of interacting fluids in an arbitrary external filed. The method is valid in any dimension and it yields an exact results in one dimension. Using this approach, we derive a…
This work is a short communication where phase function method has been applied to obtain the phase shifts using Effective Range Approximation potential for $^3S_1-np$, $^1S_0-nn$, $^1S_0-np$, and $^1S_0-pp$ states. No free fitting…
Soft-core attractive potentials can give rise to a phase diagram with three fluid phases at different densities (gas, low-density liquid and high-density liquid), separated by first order phase transition lines ending in critical points.…
With the aim of constructing an electronic structure approach that systematically goes beyond the GW and random phase approximation (RPA) we introduce a vertex correction based on the exact-exchange (EXX) potential of time-dependent density…
The synthesis of complex materials through the self-assembly of particles at the nanoscale provides opportunities for the realization of novel material properties. However, the inverse design process to create experimentally feasible…
Patterns forming spontaneously in extended, three-dimensional, dissipative systems are likely to excite several homogeneous soft modes ($\approx$ hydrodynamic modes) of the underlying physical system, much more than quasi one- and…
In this work we extend the applicability of the microcanonical ensemble simulation method, originally proposed to study the Ising model (A. H\"uller and M. Pleimling, Int. Journal of Modern Physics C, 13, 947 (2002),…
In this paper, a new $P_{2}-P_{1}$ finite element pair is proposed for incompressible fluid. For this pair, the discrete inf-sup condition and the discrete Korn's inequality hold on general triangulations. It yields exactly divergence-free…
We propose a BGK-type kinetic model for a binary gas mixture, designed to serve as a kinetic formulation of compressible two-phase fluid dynamics. The model features species-dependent adiabatic exponents, and the relaxation operator is…
In this paper, we will provide the the finite element method for the electro-osmotic flow in micro-channels, in which a convection-diffusion type equation is given for the charge density $\rho^e$. A time-discrete method based on the…
The empirical valence bond (EVB) method [J. Chem. Phys. 52, 1262 (1970)] has always embodied charge transfer processes. The mechanism of that behavior is examined here and recast for use as a new empirical potential energy surface for…
We have explored the phase behavior of a set of water-like models in slit pores of nanoscopic dimensions. The interaction between water and pore walls mimics the graphite surface. A version of density functional method is used as…
We consider near-critical two-dimensional statistical systems at phase coexistence on the half plane with boundary conditions leading to the formation of a droplet separating coexisting phases. General low-energy properties of…
While the variational principle for excited-state energies leads to a route to obtaining excited-state densities from time-dependent density functional theory, relatively little attention has been paid to the quality of the resulting…
One-dimensional numerical simulations based on hybrid Eulerian-Lagrangian method are performed to study the interactions between propagating shocks and dispersed evaporating water droplets. Two-way coupling for exchanges of mass, momentum,…
In this work, we use a moving Voronoi and sharp interface approach for simulating two-phase flows. At every time step, the mesh is generated anew from Voronoi seeds that behave as material points. The paper is a continuation of our previous…
The effective pair potentials of liquid 3d transition metals have been derived from the experimental diffraction data by means of the inverse self-consistent method. The obtained potentials provide highly accurate coincidence of the…
Equi-Energy Sampling (EES, for short) is a method to speed up the convergence of the Metropolis chain, when the latter is slow. We show that there are still models like the mean-field Potts model, where EES does not converge rapidly in…