Related papers: Statistical measures applied to metal clusters: ev…
There has long been a discrepancy between the size distributions of Ar$_n^+$ clusters measured by different groups regarding whether or not magic numbers appear at sizes corresponding to the closure of icosahedral (sub-)shells. We show that…
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…
The structural properties of rare-gas clusters can be primarily described by a simple sphere packing model or by pairwise interactions. Remarkably, adding a single proton yields a large set of magic numbers that has remained unexplained. In…
Fragmentation can be observed in nature and in everyday life on a wide range of length scales and for all kinds of technical applications. Most studies on dynamic failure focus on the behaviour of bulk systems in one, two and three…
The paper presents tetrahedron periodic table to conveniently include superheavy elements. Madelung rule violation statistics is discussed and a model for Madelung rule violation probability calculation is proposed. On its basis superheavy…
The appearance and disappearance of shells and subshells are determined using a previously introduced method of structural analysis. This work extends the approach and applies it to protons, in addition to neutrons, in an attempt to provide…
We have performed realistic shell-model calculations for nuclei around doubly magic 100Sn and 132Sn using an effective interaction derived from the Bonn A nucleon-nucleon potential. The results are in remarkably good agreement with the…
Variation of nuclear shell effects with nucleon numbers are evaluated using the modified Bethe-Weizsacker mass formula (BWM) and the measured atomic masses. The shell effects at magic neutron numbers N = 8, 20, 28, 50, 82 and 126 and magic…
We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving pseudopotentials. The accuracy of the…
Numerical simulations of clusters of galaxies provide a unique way to follow the dynamics of these systems. The models reveal many characteristics of the merging process of subclusters: shock structure and strength, temperature distribution…
Direct analytical and numerical calculation show that two-electron atomic configuration can be unstable with respect to a static or dynamic shift of the electron shells. This enables to develop a so called non-rigid shell model for a…
For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and computed. We investigate electronic and magnetic properties of…
Magic-size clusters are ultra-small colloidal semiconductor systems that are intensively studied due to their monodisperse nature and sharp UV-vis absorption peak compared with regular quantum dots. However, the small size of such clusters…
We study theoretically large metal clusters containing vacancies. We propose an approach, which combines the Kohn-Sham results for monovacancy in a bulk of metal and analytical expansions in small parameters $c_{v}$ (relative concentration…
We compare the results of Eulerian hydrodynamic simulations of cluster formation against virial scaling relations between four bulk quantities: the cluster mass, the dark matter velocity dispersion, the gas temperature and the cluster…
Establishing the reliability with which stellar population parameters can be measured is vital to extragalactic astronomy. Galactic GCs provide an excellent medium in which to test the consistency of Single Stellar Population (SSP) models…
Solute clusters affect the physical properties of alloys. Knowledge of the atomic structure of solute clusters is a prerequisite for material optimisation. In this study, solute clusters in a rapid-hardening Al-Cu-Mg alloy were…
Electronic and optical properties of silver clusters were calculated using two different \textit{ab initio} approaches: 1) based on all-electron full-potential linearized-augmented plane-wave method and 2) local basis function…
The research focuses on determining the metallicity ([Fe/H]) predicted in the solar twin stars by using various regression modeling techniques which are, Random Forest, Linear Regression, Decision Tree, Support Vector, and Gradient…
Energetics and conductance in jellium modelled nanowires are investigated using the local-density-functional-based shell correction method. In analogy with studies of other finite-size fermion systems, e.g., simple-metal clusters or He-3…