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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…

Materials Science · Physics 2009-11-11 Priya Mahadevan , J. M. Osorio-Guillen , Alex Zunger

Schmidt et al (Phys Rev Lett 86, 1191 (2001)) observe and analyze a negative specific heat in Na clusters. The analysis is done within the framework of Boltzmann-Gibbs equilibrium statistical mechanics. We argue that this is not the only…

Statistical Mechanics · Physics 2007-05-23 C. Tsallis , B. J. C. Cabral , A. Rapisarda , V. Latora

We present results on the X-ray properties of clusters and groups of galaxies, extracted from a large hydrodynamical simulation. We used the GADGET code to simulate a LambdaCDM model within a box of 192 Mpc/h on a side, with 480^3 dark…

The assumption of a spatially uniform helium distribution in the intracluster medium can lead to biases in the estimates of key cluster parameters if composition gradients are present. The helium concentration profile in galaxy clusters is…

High Energy Astrophysical Phenomena · Physics 2020-06-04 Thomas Berlok , Martin E. Pessah

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…

Mesoscale and Nanoscale Physics · Physics 2012-10-02 S. A. Blundell , Soumyajyoti Haldar , D. G. Kanhere

The existence of magnetic fields associated with the intracluster medium in clusters of galaxies is now well established through different methods of analysis. Magnetic fields are investigated in the radio band from studies of the rotation…

Astrophysics · Physics 2009-11-10 Federica Govoni , Luigina Feretti

Results from a large set of hydrodynamical SPH simulations of galaxy clusters in a flat LCDM cosmology are used to investigate cluster X-ray properties. The physical modeling of the gas includes radiative cooling, star formation, energy…

Astrophysics · Physics 2007-05-23 R. Valdarnini

The comparison between observations of galaxy clusters thermo-dynamical properties and theoretical predictions suggests that non-gravitational heating needs to be added into the models. We implement an internally self-consistent heating…

Astrophysics · Physics 2015-06-24 L. Gazzola , F. R. Pearce

Ab initio Perturbed Ion (PI) calculations are reported for neutral stoichiometric (MgO)n clusters (n<14). An extensive number of isomer structures was identified and studied. For the isomers of (MgO)n (n<8) clusters, a full geometrical…

Atomic and Molecular Clusters · Physics 2009-10-30 E. de la Puente , A. Aguado , A. Ayuela , J. M. Lopez

In this work, the melting phase transitions of $Fe_{n}$ nanoclusters with $10 \leq n \leq 100$ atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes, surface melting occurs at much lower…

Atomic and Molecular Clusters · Physics 2025-03-31 Louis E. S. Hoffenberg , Alexander Khrabry , Yuri Barsukov , Igor D. Kaganovich , David B. Graves

We investigate the magnetic properties of small transition metal clusters using a simple statistical model, which requires some input data from ab initio spin-density functional calculations. In our study we consider a thermodynamically…

Condensed Matter · Physics 2007-05-23 Peter Borrmann , Bernd Diekmann , Eberhard R. Hilf , David Tomanek

We use a state-of-the-art semi-analytic model to study the size and the specific angular momentum of galaxies. Our model includes a specific treatment for the angular momentum exchange between different galactic components. Disk scale radii…

Astrophysics of Galaxies · Physics 2018-08-28 Anna Zoldan , Gabriella De Lucia , Lizhi Xie , Fabio Fontanot , Michaela Hirschmann

The anomalous Hall effect in metal-insulator-semiconductor structures having thin (Ga,Mn)As layers as a channel has been studied in a wide range of Mn and hole densities changed by the gate electric field. Strong and unanticipated…

Materials Science · Physics 2015-03-17 D. Chiba , A. Werpachowska , M. Endo , Y. Nishitani , F. Matsukura , T. Dietl , H. Ohno

We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed using all-electron density functional…

Atomic and Molecular Clusters · Physics 2016-09-28 Arup Banerjee , Tapan K. Ghanty , Aparna Chakrabarti

We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…

Chemical Physics · Physics 2014-04-07 Raymond Angélil , Jürg Diemand , Kyoko K. Tanaka , Hidekazu Tanaka

For the first time, the combination of semi-analytic modelling of galaxy formation and N-body simulations of cosmic structure formation enables us to model, at the same time, both the photometric and the clustering properties of galaxies.…

Astrophysics · Physics 2007-05-23 Antonaldo Diaferio

We study the evolution of magnetized clusters in a cosmological environment using magneto-hydro dynamical simulations. Large scale flows and merging of subclumps generate shear flows leading to Kelvin-Helmholtz instabilities, which, in…

Astrophysics · Physics 2007-05-23 Klaus Dolag

We propose a simple estimator for the gravitational potential of cluster-size halos using the temperature and density profiles of the intracluster gas based on the assumptions of hydrostatic equilibrium and spherical symmetry. Using high…

Cosmology and Nongalactic Astrophysics · Physics 2011-06-08 Erwin T. Lau

Understanding turbulence within the Intracluster Medium (ICM) of galaxy clusters is pivotal for comprehending their evolution and dynamics. Employing 3D magnetohydrodynamic (MHD) simulations of galaxy cluster mergers, we examine the…

Astrophysics of Galaxies · Physics 2025-07-30 Yue Hu , Alex Lazarian , G. Brunetti , John A. ZuHone

We investigate the dependence upon charge of the heat capacities of the magic gold cluster Au20 obtained from density functional based tight binding theory within parallel tempering molecular dynamics and the multiple histogram method. The…

Chemical Physics · Physics 2018-05-10 Mathias Rapacioli , Nathalie Tarrat , Fernand Spiegelman