Related papers: A model metal potential exhibiting polytetrahedral…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
The capacities of various interatomic potentials available for elemental germanium, with the scope to choose the potential suitable for the modeling of germanene (2D germanium) allotropes were investigated. Structural and mechanical…
Let $B$ be a reduced local (Noetherian) ring with maximal ideal $M$. Suppose that $B$ contains the rationals, $B/M$ is uncountable and $|B| = |B/M|$. Let the minimal prime ideals of $B$ be partitioned into $m \geq 1$ subcollections $C_1,…
The ground-state electronic, structural, and magnetic properties of small silver clusters, Ag$_n$ (2$\le$n$\le$22), have been studied using a linear combination of atomic Gaussian-type orbitals within the density functional theory. The…
Aluminium alloy AA7075 (Al-Zn-Mg-Cu) specimens were prepared using selective laser melting, also known as powder bed fusion additive manufacturing. In the as-manufactured state, which represents a locally rapidly solidified condition, the…
Density-functional theory is used to study the geometric and electronic structure of cationic Si16^+ clusters with a Ti, V or Cr dopant atom. Through unbiased global geometry optimization based on the basin-hopping approach we confirm that…
The cluster algebra of any acyclic quiver can be realized as the coordinate ring of a subvariety of a Kac-Moody group -- the quiver is an orientation of its Dynkin diagram, defining a Coxeter element and thereby a double Bruhat cell. We use…
We have explored new possible phases of 3D C60-based fullerites using semiempirical potentials and ab-initio density functional methods. We have found three closely related structures - two body centered orthorhombic and one body centered…
We introduce a novel coarse-grained bead-spring model for flexible polymers to systematically examine the effects of an adjusted bonded potential on the formation and stability of structural macrostates in a thermal environment. The density…
We investigate structural properties of old, metal-poor globular clusters (GCs) formed at high redshifts (z>6) and located inside and outside virialized galaxy-scale halos in clusters of galaxies with the total masses of M_CL based on…
A mechanically-based structural optimization method is utilized to explore the phenomena of jamming for assemblies of frictionless Platonic solids. Systems of these regular convex polyhedra exhibit mechanically stable phases with density…
The evolution of the magnetic moment in iron clusters containing 20 to 400 atoms is investigated using first-principles numerical calculations based on density-functional theory and real-space pseudopotentials. Three families of clusters…
An approach based on He scattering is used to develop an atomic-level structural model for an epitaxially grown disordered sub-monolayer of Ag on Pt(111) at 38K. Quantum scattering calculations are used to fit structural models to the…
Quartetting ($\alpha$-like clustering) occurs in low density matter ($\le 0.03$ fm$^{-3}$) which exists, e.g., at the surface of nuclei. It is of interest for the $\alpha$ preformation to calculate the $\alpha$ decay of heavy nuclei such as…
The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles…
The so-called diluted-random-cluster model may be viewed as a random-cluster representation of the Blume--Capel model. It has three parameters, a vertex parameter $a$, an edge parameter $p$, and a cluster weighting factor $q$. Stochastic…
Nobel metals that are deposited on a polymer surface exhibit surface diffusion and diffusion into the bulk. At the same time the metal atoms tend to form clusters because their cohesive energy is about two orders of magnitude higher than…
A catalog of Galactic globular clusters has been compiled and used to analyze relations between the chemical and kinematic parameters of the clusters. The catalog contains positions, distances, luminosities, metallicites, 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…
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…