Related papers: The structure of small lead clusters
We performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 structures with formation energies…
Nuclei at both the neutron- and proton-drip lines are studied. In the cluster-core model, the halo-structure of all the observed and proposed cases of neutron- or proton-halos is investigated in terms of simple potential energy surfaces…
The formation of colloidal gels is strongly dependent on the volume fraction of the system and the strength of the interactions between the colloids. Here we explore very dilute solutions by the means of numerical simulations, and show…
The morphology of clusters of galaxies may be described with a set of parameters which contain information about the formation and evolutionary history of these systems. In this paper we present a preliminary study of the morphological…
We derive coupled-cluster equations for three-body Hamiltonians. The equations for the one- and two-body cluster amplitudes are presented in a factorized form that leads to an efficient numerical implementation. We employ low-momentum two-…
Motivated by recent experiments on colloidal systems with competing attractive and repulsive interactions, we simulate a two-dimensional system of colloids with competing interactions that can undergo fragmentation. In the absence of any…
Low-energy structures are found on the potential energy surfaces of the neutral, cationic, and anionic gold clusters Au_{5 \leq n \leq 8}^Z (Z = 0, \pm) and on the neutral potential energy surface of Au_9. These structures provide insights…
We report an experimental study of 2D dipole clusters formed by small magnetic particles floating at the air-water interface. The particles form hexagonally ordered clusters due to interplay between dipole-dipole repulsion and confining…
Our numerical calculations on small carbon clusters point to the existence of a metastable three-dimensional eight-atom cluster C$_8$ which has a shape of a six-atom triangular prism with two excess atoms above and below its bases. We gave…
The graphene-graphite relationship in structural geometry is a basic principle to predict novel two-dimensional (2D) materials. Here, we demonstrate that this is not the case in binary metallic systems. We use the Bayesian optimization…
The occurrence of planar hexacoordination is very rare in cluster chemistry, particularly for main group elements. We report here a class of planar hexacoordinate silicon (phSi) in the global minimum isomer of SiE3M3+ (E = N, P, As, Sb; M =…
Using a Monte Carlo minimization approach we report the global minima for metal clusters modelled by the Sutton-Chen family of potentials with N<81, where N is the number of atoms. The resulting structures are discussed in the light of both…
The most energetically favourable arrangement of low-density electrons in an infinite two-dimensional plane is the ordered triangular Wigner lattice. However, in most instances of contemporary interest one deals instead with finite clusters…
An interaction site-based model of two-dimensional alcohols is proposed as a follow up of the recent SSMB site-site model for 2D water [J. Mol. Liq. 386 (2023 122475]. Computer simulation studies indicate that the model exhibits hbond-type…
We present a thorough theoretical assessment of the stability of non-collinear spin arrangements in small palladium clusters. We generally find that ferromagnetic order is always preferred, but that antiferromagnetic and non-collinear…
While the hexagonal lattice is ubiquitous in two dimensions, the body centered cubic lattice and the face centered lattice are both commonly observed in three dimensions. A geometric variational problem motivated by the diblock copolymer…
The alpha cluster states of 16C are investigated by using the antisymmetrized molecular dynamics. It is shown that two different types of alpha cluster states exist: triangular and linear-chain states. The former has an approximate…
The melting of Al clusters in the size range 49 <= N <= 62 has been studied using two model interatomic potentials. The results for the two models are significantly different. The glue potential exhibits a smooth relatively featureless heat…
Strongly interacting binary mixtures of superparamagnetic colloidal particles confined to a two-dimensional water-air interface are examined by theory, computer simulation and experiment. The mixture exhibits a partial clustering in…
We study the structure of clusters in a model colloidal system with competing interactions using Brownian dynamics simulations. A short-ranged attraction drives clustering, while a weak, long-ranged repulsion is used to model electrostatic…