相关论文: Mapping the magic numbers in binary Lennard-Jones …
The stability properties of simple element choices for the mixed formulation of the Laplacian are investigated numerically. The element choices studied use vector Lagrange elements, i.e., the space of continuous piecewise polynomial vector…
We use machine learning methods on local structure to identify flow defects - or regions susceptible to rearrangement - in jammed and glassy systems. We apply this method successfully to two disparate systems: a two dimensional experimental…
In the context of clustering, we consider a generative model in a Euclidean ambient space with clusters of different shapes, dimensions, sizes and densities. In an asymptotic setting where the number of points becomes large, we obtain…
We introduce an arbitrary order, stabilized finite element method for solving a unique continuation problem subject to the time-harmonic elastic wave equation with variable coefficients. Based on conditional stability estimates we prove…
For face-centered cubic (fcc) and tetragonal (fct) iron a large number of magnetic configurations as a function of crystal structural parameters were studied by means of density functional theory. The stability of magnetic structures was…
We consider the dynamical problem for a system of three particles in which the inter-particle forces are given as the gradient of a Lennard-Jones type potential. Furthermore we assume that the three particle array is subject to the…
The thermodynamic stability of structural isomers of $\mathrm{C}_{24}$, $\mathrm{C}_{26}$, $\mathrm{C}_{28}$ and $\mathrm{C}_{32}$, including fullerenes, is studied using density functional and quantum Monte Carlo methods. The energetic…
We study the carbon-dope aluminum clusters by using time-of-flight mass spectrum experiments and {\em ab initio} calculations. Mass abundance distributions are obtained for anionic aluminum and aluminum-carbon mixed clusters. Besides the…
The role of the potential energy landscape in determining the relaxation dynamics of model clusters is studied using a master equation. Two types of energy landscape are examined: a single funnel, as exemplified by 13-atom Morse clusters,…
Disordered systems like liquids, gels, glasses, or granular materials are not only ubiquitous in daily life and in industrial applications but they are also crucial for the mechanical stability of cells or the transport of chemical and…
The stability of planets in the alpha-Centauri AB stellar system has been studied extensively. However, most studies either focus on the orbital plane of the binary or consider inclined circular orbits. Here, we numerically investigate the…
A structural model for intermediate sized silicon clusters is proposed that is able to generate unique structures without any dangling bonds. This structural model consists of bulk-like core of five atoms surrounded by fullerene-like…
A structural model for intermediate sized silicon clusters is proposed that is able to generate unique structures without any dangling bonds. This structural model consists of bulk-like core of five atoms surrounded by fullerene-like…
Introducing genetic algorithms as a reliable and efficient tool to find ordered equilibrium structures, we predict minimum energy configurations of the square shoulder system for different values of corona width $\lambda$. Varying…
The geometric and electronic structures of NaN, CuN, and AgN metal clusters are systematically studied based on the density functional theory over a wide range of cluster sizes 2=<N=<75. A remarkable similarity is observed between the…
We study two-dimensional, two-piece, piecewise-linear maps having two saddle fixed points. Such maps reduce to a four-parameter family and are well known to have a chaotic attractor throughout open regions of parameter space. The purpose of…
Both even- and odd-numbered neutral carbon clusters Cn (n = 2-10) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found…
We report on the construction of a granular network of particles to study the formation, evolution and statistical properties of clusters of particles developing at the vicinity of a liquid-solid-like phase transition within a vertically…
Dynamical studies suggest that most of the circumbinary discs (CBDs) should be coplanar. However, under certain initial conditions, the CBD can evolve toward polar orientation. Here we extend the parametric study of polar configurations…
The population of binary black hole mergers identified through gravitational waves has uncovered unexpected features in the intrinsic properties of black holes in the universe. One particularly surprising and exciting result is the possible…