A face-sharing bi-icosahedral motif is proposed as a candidate structure of the magic cluster, Al23(-), on the basis of DFT calculations. The structure can be viewed as a quasi-molecule made of two Al13 (D3d) superatoms with an open electronic configuration via constructive overlap of 1F and 2P superatomic orbitals. A face-sharing tri-icosahedral motif is also predicted for Al33(-).

The cluster expansion enables fast alloy property computations especially useful for predicting alloy thermodynamics. It expands configurational alloy properties in basis functions called clusters with associated expansion coefficients called effective cluster interactions (ECI). The number of ECI depends on the symmetries of the system. Therefore, when applied to non-bulk low-symmetry systems,...

-The structural and thermodynamic properties of microclusters in two and three dimensions have been investigated by means of the molecular dynamics technique. This technique in principle produces the atomic configuration of lowest free energy for any given cluster size. The caloric equation of state for the different microclusters were calculated using a truncated Lennard-Jones pair potential. ...

The cluster reduction method for the Yakubovsky equations in configuration space is used for calculations of zero-energy scattering in four-nucleon system. The main idea of the method consists in making use of expansions for the Yakubovsky amplitudes onto the basis of the Faddeev components for the two-cluster sub-Hamiltonian eigenfunctions. The expantions reduce the original equations to ones ...

This paper focuses on two aspects of configuration choices of the Hadoop platform. Firstly we are looking to establish performance implications of expanding an existing Hadoop cluster beyond a single rack. In the second part of the testing we are focusing on performance differences when deploying clusters of different sizes. The study also examines constraints of the disk latency found on the t...

We consider the mass-dependent aggregation process (k+1)X→X, given a fixed number of unit mass particles in the initial state. One cluster is chosen proportional to its mass and is merged into one, either with k neighbors in one dimension, or--in the well-mixed case--with k other clusters picked randomly. We find the same combinatorial exact solutions for the probability to find any given confi...