Related papers: Global Minima for Transition Metal Clusters Descri…
Clusters of galaxies allow a direct estimate of the metallicity and metal production yield on the largest scale so far. The ratio of the total iron mass in the ICM to the total optical luminosity of the cluster (the iron…
Within the micro-canonical ensemble phase transitions of first order can be identified without invoking the thermodynamic limit. We show for the liquid-gas transition of sodium, potassium, and iron at normal pressure that the transition…
We report results of fully non-perturbative, Path Integral Monte Carlo (PIMC) calculations for dilute neutron matter. The neutron-neutron interaction in the s channel is parameterized by the scattering length and the effective range. We…
It has previously been proven that finding the globally minimum energy configuration of an atomic cluster belongs in the class of NP-hard problems. However, this proof is limited only to homonuclear clusters. This paper presents a new proof…
A general method to obtain a representation of the structural landscape of nanoparticles in terms of a limited number of variables is proposed. The method is applied to a large dataset of parallel tempering molecular dynamics simulations of…
We describe a novel switching algorithm based on a ``reverse'' Monte Carlo method, in which the potential is stochastically modified before the system configuration is moved. This new algorithm facilitates a generalized formulation of…
Using the guidelines on SN element production provided by XMM-Newton, we summarize the results of ASCA observations on the element abundance in groups and clusters of galaxies. We show that while the metal production in groups could be…
Global minimum potential energy state can be very challenging to locate in a relatively large atomistic system. Our present work investigates this problem using an example of gold nanoclusters, Au10, Au20, Au30, Au50. Nanoscale gold…
Within our fission model, the Coulomb and proximity potential model (CPPM) cluster formation probabilities are calculated for different clusters ranging from carbon to silicon for the parents in the trans-tin and trans- lead regions. It is…
The purpose of this paper is to prove that if $G$ is a transitive permutation group of degree $n\geq 2$, then $G$ can be generated by $\lfloor cn/\sqrt{\log{n}}\rfloor$ elements, where $c:=\sqrt{3}/2$. Owing to the transitive group…
The metal content of clusters of galaxies and its relation to their stellar content is revisited making use of a cluster sample for which all four basic parameters are homogeneously measured within consistent radii, namely core-excised…
We introduce several infinite families of new critical exponents for the random-cluster model and present scaling arguments relating them to the k-arm exponents. We then present Monte Carlo simulations confirming these predictions. These…
While isovalent doping of GaAs (e.g. by In) leads to a repulsion between the solute atoms, two Cr, Mn, or Fe atoms in GaAs are found to have lower energy than the well-separated pair, and hence attract each other. The strong bonding…
We examine the favoured cluster structures for two new potentials, which both behave as monatomic model glass-formers in bulk. We find that the oscillations in the interatomic potential lead to global minima that are non-compact…
The possibility of materials that are governed by a fixed point related to small world networks is discussed. In particular, large-scale Monte Carlo simulations are performed on Ising ferromagnetic models on two different small-world…
We have used the stabilized spin-polarized jellium model to calculate the equilibrium sizes of metal clusters. Our self-consistent calculations in the local spin-density approximation show that for an $N$-electron cluster, the equilibrium…
The optimized structure and electronic properties of neutral and singly charged magnesium clusters have been investigated using ab initio theoretical methods based on density-functional theory and systematic post-Hartree-Fock many-body…
We present a new theoretical framework for modelling the fusion process of Lennard-Jones (LJ) clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we…
The aim of this paper is to give a short review on cluster dynamics modeling in the field of atoms and point defects clustering in materials. It is shown that this method, due to its low computer cost, can handle long term evolution that…
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of Fe(phen)$_{2}$(NCS)$_{2}$ (phen = 1,10-phenanthroline),…