Related papers: Interpolating between pair-potential systems
We present a study using molecular dynamics simulations based on the Fermi-Jagla potential model, which is the continuous version of the mono-atomic core-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N. Giovambattista, J. Phys.…
By defining a spatially varying replica overlap parameter for a supercooled liquid referenced to an ensemble of fiducial liquid state configurations we explicitly construct a constrained replica free energy functional that maps directly…
In this study, a recently introduced order parameter called the weighted coordination number (WCN) was used to investigate the liquid-liquid (LL) phase separation, indicating temperature-dependent coarsening of the LL interface as a…
We present a continuum model for symmetry-breaking phase transformations in intercalation compounds, based on Ericksen's multi-well energy formulation. The model predicts the nucleation and growth of crystallographic microstructures in…
Current-voltage characteristics of Au~/~YBa$_2$Cu$_3$O$_{7-\delta}$ interfaces (Au/YBCO), built on optimally-doped YBCO thin films, grown by pulsed laser deposition, were measured as a function of temperature in the 50 K to 270 K range, for…
We introduce the consecutive lifting-projection (LP) flow as a novel approximation framework for the spatially homogeneous Boltzmann and Landau equations. The key idea is to lift the nonlinear collision operator to a higher dimensional…
We perform Monte-Carlo simulations to analyse the structure and microscopic dynamics of a viscous Lennard-Jones liquid coupled to a quenched reference configuration of the same liquid. The coupling between the two replicas is introduced via…
A microscopic nuclear level-density model is presented. The model is a completely combinatorial (micro-canonical) model based on the folded-Yukawa single-particle potential and includes explicit treatment of pairing, rotational and…
The Lennard-Jones (LJ) spline potential is a truncated LJ potential such that both the pair potential and the force continuously approach zero at $r_c \approx 1.74{\sigma}$. We present a systematic map of the thermodynamic properties of the…
The experimental knowledge on interlayer potential of graphenites is summarized and compared with computational results based on phenomenological models. Besides Lennard-Jones approximation, the Mie potential is discussed, Kolmogorov-Crespy…
The quantum path integral/classical liquid-state theory of Chandler and co-workers, created to describe an excess electron in solvent, is re-examined for the hydrated electron. The portion that models electron-water density correlations is…
The phase diagram of the attractive hard-core Yukawa fluid derived previously [M. Robles and M. L\'opez de Haro, J. Phys. Chem. C 111, 15957 (2007)] is used to obtain the liquid-vapor coexistence curve of real water. To this end, the value…
The inherent structures ({\it IS}) are the local minima of the potential energy surface or landscape, $U({\bf r})$, of an {\it N} atom system. Stillinger has given an exact {\it IS} formulation of thermodynamics. Here the implications for…
We analyse the $r \to \infty$ asymptotic decay of the total correlation function, $h(r)$, for a fluid composed of particles interacting via a (point) Yukawa pair potential. Such a potential provides a simple model for dusty plasmas. The…
Via computer simulations of the standard binary Lennard-Jones glass former we have obtained in a systematic way a large set of close-by pairs of minima on the potential energy landscape, i.e. double-well potentials (DWP). We analyze this…
Linearly-sloped or `ramp' potentials belong to a class of core-softened models which possess a liquid-liquid critical point (LLCP) in addition to the usual liquid-gas critical point. Furthermore they exhibit thermodynamic anomalies in the…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
We consider regular polynomial interpolation algorithms on recursively defined sets of interpolation points which approximate global solutions of arbitrary well-posed systems of linear partial differential equations. Convergence of the…
The thermodynamic and structural properties of two dimensional dense Yukawa liquids are studied with molecular dynamics simulations. The "exact" thermodynamic properties are simultaneously employed in an advanced scheme for the…
We consider a continuous system of classical particles confined in a finite region $\Lambda$ of $\mathbb{R}^d$ interacting through a superstable and tempered pair potential in presence of non free boundary conditions. We prove that the…