相关论文: Density-functional theory study of ionic inhomogen…

The isostatic jamming limit of frictionless spherical particles from Edwards' statistical mechanics [Song \emph{et al.}, Nature (London) {\bf 453}, 629 (2008)] is generalized to arbitrary dimension $d$ using a liquid-state description. The…

We investigate the mass fractions and in-medium properties of heavy nuclei in stellar matter at characteristic densities and temperatures for supernova (SN) explosions. The individual nuclei are described within the compressible liquid-drop…

The packing mechanisms between Janus-MoSSe and Aluminum-Nitride (AlN) sheets were systematically investigated by using Density Function Theory calculations. Results show that the stabilization (packing) energies vary from -35.5 up to -17.5…

We investigate the statistical mechanics of glass-forming materials and jamming matter by means of a geometrically driven approach based on a revised cell theory. By considering the system as constituted of jammed blocks of increasing…

In an attempt to quantify the role of polydispersity in colloidal suspensions, we present an efficient implementation of the renormalized jellium model for a mixture of spherical charged colloids. The different species may have different…

We investigate the thermodynamic and chemical structure of the intracluster medium (ICM) across a statistical sample of 20 galaxy clusters analysed with the Chandra X-ray satellite. In particular, we focus on the scaling properties of the…

Photoionization models frequently assume constant temperature or density within HII regions. We investigate this assumption by measuring the detailed temperature and density structures of four HII regions in the Large Magellanic Cloud and…

We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of…

{We study in some details the statistical properties of the turbulent 2-phase interstellar atomic gas.{We present high resolution bidimensional numerical simulations of the interstellar atomic hydrogen which describe it over 3 to 4 orders…

A model system is proposed to investigate the chemical equilibrium and mechanical stability of biological spherical-like nanoshells in contact with an aqueous solution with added dissociated electrolyte of a given concentration. The ionic…

The structural, electronic, mechanical and thermal properties of Ir$_{1-x}$Rh$_{x}$ alloys were studied systematically using ab initio density functional theory at different concentrations (x = 0.00, 0.25, 0.50, 0.75, 1.00). A Special…

The goal of this paper is to develop a reliable analytical approach to finding the effective elastic-plastic response of metal matrix composites (MMC) and porous metals (PM) with a predefined particle or void distribution, as well as to…

We discuss a generalization of the surface reconstruction arguments for the structure of intermediate size Si clusters, which leads to model geometries for the sizes 33, 39 (two isomers), 45 (two isomers), 49 (two isomers), 57 and 61 (two…

We perform dark-matter-only simulations of 28 relaxed massive cluster-sized haloes for Cold Dark Matter (CDM) and Self-Interacting Dark Matter (SIDM) models, to study structural differences between the models at large radii, where the…

Constraints on the clustered mass density \Omega_m of the universe derived from the mean intracluster gas fraction of X-ray clusters may be biased by a single-phase assumption for the thermodynamic structure of the intracluster medium…

A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…

This report presents a systematic understanding of the nature behind the unusual behavior of a nanosolid, and a surface as well, in mechanics, thermodynamics, acoustics, optoelectronics, magnetism, dielectrics, atomic diffusivity and…

We investigate the magnetic properties of small transition metal clusters using a simple statistical model, which requires some input data from ab initio spin-density functional calculations. In our study we consider a thermodynamically…

We present an improved semi-analytical model to predict density profiles of self-interacting dark matter (SIDM) halos and apply it to constrain the self-scattering cross section using SPARC galaxy rotation curves. Building on the isothermal…

The physical and chemical properties of metal nanoparticles differ significantly from those of free metal atoms as well as from the properties of bulk metals, and therefore, they may be viewed as a transition regime between the two physical…