Related papers: Interpolating between pair-potential systems
The coupling parameter expansion in thermodynamic perturbation theory of simple fluids is generalized to include the derivatives of bridge function. We applied seventh order version of the theory to Square-Well (SW) and Lennard-Jones (LJ)…
The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced…
We study the thermodynamics of a model of pancake vortices in layered superconductors. The model is based on the effective pair potential for the pancake vortices derived from the London approximation of a version of the Lawrence-Doniach…
In moderately coupled Yukawa fluids, longitudinal mode dispersion is determined by the competition between kinetic and potential effects. In a recent paper [Khrapak and Cou\"edel, Phys. Rev. E 102, 033207 (2020)], a semi-phenomenological…
The equilibrium structure and the dispersion relations of collective excitations in trilayer Yukawa systems in the strongly coupled liquid regime are examined. The equilibrium correlations reveal a variety of structures in the liquid phase,…
Quasi-saddles or inherent saddles of the potential energy surface, $U$, of a liquid are defined as configurations which correspond to absolute minima of the pseudo-potential surface, $W =\wf$, as identified by a multi-dimensional…
The conjugate pairing of Lyapunov exponents for a field-driven system with smooth inter-particle interaction at constant total kinetic energy was first proved by Dettmann and Morriss [Phys. Rev. E {\bf 53}, R5545 (1996)] using simple…
The dynamical correlations of a model consisting of particles constrained on the line and interacting with a nearest--neighbour Lennard--Jones potential are computed by molecular--dynamics simulations. A drastic qualitative change of the…
The exact interaction energy of a many-electron system is determined by the electron pair density, which is not well-approximated in standard Kohn-Sham density functional models. Here we study the (complicated but well-defined) exact…
We study the relaxation dynamics of a binary Lennard-Jones liquid in the presence of an amorphous wall generated from equilibrium particle configurations. In qualitative agreement with the results presented in Nature Phys. {\bf 8}, 164…
The interplay of slow dynamics and thermodynamic features of dense liquids is studied by examinining how the glass transition changes depending on the presence or absence of Lennard-Jones-like attractions. Quite different thermodynamic…
Ultra-fast laser experiments yield increasingly reliable data on warm-dense matter (WDM), but rely on entrenched simplistic theoretical models. We re-analyze two topical experiments, avoiding (i) {\it ad hoc} core-repulsion models, (ii)…
Simulations are reported to investigate solid superheating and liquid supercooling of two-dimensional (2D) systems with a Yukawa interparticle potential. Motivated by experiments where a dusty plasma is heated and then cooled suddenly, we…
Using molecular dynamics simulations we study the temperature-density phase diagram of a simple model system of particles in two dimensions. In addition to translational degrees of freedom, each particle has two internal states and…
Molecular dynamics simulations of aqueous electrolytes generally rely on empirical force fields, combining dispersion interactions - described by a truncated Lennard-Jones (LJ) potential - and electrostatic interactions - described by a…
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binary mixtures. For a prototypical symmetrical Lennard-Jones…
The existence of potential energy landscape in the glass transition has been theoretically proved using the recursive equation of reinforce-restraint of self-similar 8 orders of Lennard-Jones (L-J) potential fluctuations. The stability…
Wang and Landau proposed recently, a simple and flexible non-Boltzmann Monte Carlo method for estimating the density of states, from which the macroscopic properties of a closed system can be calculated. They demonstrated their algorithm by…
Motivated by a number of realizations of long-range interacting systems, including ultra-cold atomic and molecular gases, we study a neutral plasma with power-law interactions longer-ranged than Coulombic. We find that beyond a crossover…
Kolmogorov-Arnold Networks (KANs) have emerged as a promising alternative to traditional Multilayer Perceptrons (MLPs) in deep learning. KANs have already been integrated into various architectures, such as convolutional neural networks,…