相关论文: Structural properties of the Jagla fluid

We introduce a dynamical energy functional on compact ancient asymptotically Ricci-flat Ricci flows with modest decay using limits of conjugate heat flows. This functional satisfies a steady Ricci breather-type rigidity and provides an…

An approach to obtain the structural properties of additive binary hard-sphere mixtures is presented. Such an approach, which is a nontrivial generalization of the one recently used for monocomponent hard-sphere fluids [S. Pieprzyk, A. C.…

The existing observational data on possible variations of fundamental physical constants (FPC) confirm more or less confidently only a variability of the fine structure constant $\alpha$ in space and time. A model construction method is…

Accurate computational predictions of metal-organic frameworks (MOFs) and their properties is crucial for discovering optimal compositions and applying them in relevant technological areas. This work benchmarks density functional theory…

The Random Phase and Amplitude Formalism (RPA) has significantly extended the scope of weak turbulence studies. Because RPA does not assume any proximity to the Gaussianity in the wavenumber space, it can predict, for example, how the…

An analytical expression for square-well fluid direct correlation function (DCF) obtained recently by Tang (Y.Tang, J. Chem. Phys. 127, 164504 (2007)) in the first-order mean spherical approximation is extended for wider well widths…

Motivated by risk assessment of coastal flooding, we consider time-consuming simulators with a spatial output. The aim is to perform sensitivity analysis (SA), quantifying the influence of input parameters on the output. There are three…

We analyze here the energy states and associated wave functions available to a particle acted upon by a delta function potential of arbitrary strength and sign and fixed anywhere within a one-dimensional infinite well. We consider how the…

The structure of a nonuniform Lennard-Jones (LJ) liquid near a hard wall is approximated by that of a reference fluid with repulsive intermolecular forces in a self-consistently determined external mean field incorporating the effects of…

A new analytic statistical mechanical model for polar fluids with an intermolecular pair potential consisting of a hard core and multiple attractive Yukawa tails has been developed. It includes all the leading terms in the orientationally…

In this paper, we propose a novel non-standard Local Fourier Analysis (LFA) variant for accurately predicting the multigrid convergence of problems with random and jumping coefficients. This LFA method is based on a specific basis of the…

A multifractal analysis (MFA) is performed on three-dimensional grayscale images associated with natural porous structures (soil samples). First, computed tomography (CT) scans are carried out on the samples to generate 3D grayscale images.…

Using molecular dynamics simulations, we study a spherically-symmetric ``two-scale'' Jagla potential with both repulsive and attractive ramps. This potential displays a liquid-liquid phase transition with a positively sloped coexistence…

Using only a limited number of computationally expensive functions, we show a way how to construct accurate and computationally efficient approximations of the Colebrook equation for flow friction. The presented approximations are based on…

Two quasi-linear approximations, the frozen flow approximation (FFA) and the frozen potential approximation (FPA), have been proposed recently for studying the evolution of a collisionless self-gravitating fluid. In the FFA it is assumed…

The structural properties of confined single-file hard-disk fluids are studied analytically by means of a mapping of the original system onto a one-dimensional mixture of non-additive hard rods, the mapping being exact in the polydisperse…

We introduce a class of flat currents with fractal properties, called fractional currents, which satisfy a compactness theorem and remain stable under pushforwards by H\"older continuous maps. In top dimension, fractional currents are the…

A free-energy functional for a crystal that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function is developed. The free-energy functional is used to investigate the crystallization of fluids…

Originating from a broken spatial inversion symmetry, ferroelectricity is a functionality of materials with an electric dipole that can be switched by external electric fields. Spontaneous polarization is a crucial ferroelectric property,…

The anisotropic potential energy surface of the (H$_2$)$_2$ dimer represents a challenging problem for many-body methods. Here, we determine the potential energy curves of five different dimer configurations (T, Z, X, H, L) using the…