Related papers: From Sticky-Hard-Sphere to Lennard-Jones-Type Clus…
We develop an efficient numerical algorithm for the identification of a large number of saddle points of the potential energy function of Lennard- Jones clusters. Knowledge of the saddle points allows us to find many thousand adjacent…
Questions surrounding the spatial disposition of particles in various condensed-matter systems continue to pose many theoretical challenges. This paper explores the geometric availability of amorphous many-particle configurations that…
We revisit the role of attractions in liquids and apply these concepts to colloidal suspensions. Two means are used to investigate the structure; the pair correlation function and a recently developed topological method. The latter…
A systematic theoretical study of stoichiometric clusters (NaI)n up to n=15 is performed using the ab initio Perturbed-Ion (PI) model. The structures obtained are compared to previous pair potential results, and observed differences between…
We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species…
The unconventional thermal properties of jammed amorphous solids are directly related to their density of vibrational states. While the vibrational spectrum of jammed soft sphere solids has been fully described, the vibrational spectrum of…
Simulating soft matter systems such as the cytoskeleton can enable deep understanding of experimentally observed phenomena. One challenge of modeling such systems is realistic description of the steric repulsion between nearby polymers.…
We investigated the structures on scales beyond the typical clusters of galaxies. These structures are crucial to understand the cosmic gravitational clustering in the pre-virialized stage, or quasilinear r\`egime. Based on the…
Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation…
We have exploited the large-volume Millennium Gas cosmological N-body hydrodynamics simulations to study the SZ cluster population at low and high redshift, for three models with varying gas physics. We confirm previous results using…
By means of molecular dynamics simulations, we study the stationary points of the potential energy in a Lennard-Jones liquid, giving a purely geometric characterization of the energy landscape of the system. We find a linear relation…
The invariance of several structural and dynamical properties of the Lennard-Jones (LJ) system along the freezing and melting lines is interpreted in terms of the isomorph theory. First the freezing/melting lines for LJ system are shown to…
We study numerically the critical behavior and marginal stability of the shear jamming transition for frictionless soft spheres, observed to occur over a finite range of densities, associated with isotropic jamming for densities above the…
We demonstrate that the elasticity of jammed solids is nonlocal. By forcing frictionless soft sphere packings at varying wavelength, we directly access their transverse and longitudinal compliances without resorting to curve fitting. The…
Localized orbital coupled cluster theory has recently emerged as an nonempirical alternative to DFT for large systems. Intuitively, one might expect such methods to perform less well for highly delocalized systems. In the present work, we…
The stability of demixing phase transition in binary mixtures of hard plates (with thickness L and diameter D) and hard spheres (with diameter $\sigma$) is studied by means of Parsons-Lee theory. The isotropic-isotropic demixing, which is…
We characterize the structure of maximally random jammed (MRJ) sphere packings by computing the Minkowski functionals (volume, surface area, and integrated mean curvature) of their associated Voronoi cells. The probability distribution…
This review describes the diversity of jammed configurations attainable by frictionless convex nonoverlapping (hard) particles in Euclidean spaces and for that purpose it stresses individual-packing geometric analysis. A fundamental feature…
Well-determined scaling relations between X-ray observables and cluster mass are essential for using large cluster samples for cosmology. Cluster relations such as the Lx-T, M-T, Lx-M relations, have been investigated extensively, however…
It is conventionally thought that the state equation of dense matter softens and thus cannot result in high maximum mass if pulsars are quark stars, and that a recently discovered $2M_\odot$ pulsar (PSR J1614-2230) may make quark stars to…