Related papers: Melting of sodium clusters
We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlation energy. The melting curve of lithium was computed using…
Results from hydrodynamical SPH simulations of galaxy clusters are used to investigate the dependence of the final cluster X-ray properties on the numerical resolution and the assumed models for the physical gas processes. Two different…
We investigate the properties of the intracluster medium (ICM) that forms within N-body/hydrodynamical simulations of galaxy clusters in a \LambdaCDM cosmology. When radiative cooling and a simple model for galactic feedback are included,…
The thermodynamic and structural properties of (NH$_4$Cl)$_n$ clusters, n=3-10 are studied. Using the method of simulated annealing, the geometries of several isomers for each cluster size are examined. Jump-walking Monte Carlo simulations…
One-dimensional bosons interacting via a soft-shoulder potential are investigated at zero temperature. The flatness of the potential at short distances introduces a typical length, such that, at relatively high densities and sufficiently…
The melting transitions of a colloidal lattice confined to a two-dimensional ($2D$) periodic substrate of square symmetry are studied using Monte Carlo simulations. When the strengths of interparticle and particle-substrate interactions are…
In a cluster crystal, each lattice site is occupied by multiple soft-core particles. As the number density is increased at zero temperature, a `cascade' of isostructural phase transitions can occur between states whose site occupancy…
We study the center structure of full dynamical QCD at finite temperatures and nonzero values of the background magnetic field using continuum extrapolated lattice data. We concentrate on two particular observables characterizing center…
We have carried out extensive isokinetic {\it ab initio} molecular dynamic simulations to investigate the finite temperature properties of the impurity doped cluster Li$_6$Sn along with the host cluster Li$_7$. The data obtained from about…
We study gravitational clustering of mass points in three dimensions with random initial positions and periodic boundary conditions (no expansion) by numerical simulations. Correlation properties are well defined in the system and a sort of…
Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different…
Molecular dynamics simulations of nanometer-sized lead clusters have been performed using the Lim, Ong and Ercolessi glue potential (Surf. Sci. {\bf 269/270}, 1109 (1992)). The binding energies of clusters forming crystalline (fcc),…
The range of critical thermal fluctuations in classical bulk superconductors is extremely small and especially in low fields hardly experimentally inaccessible. With a new type of calorimeter we have been able to resolve a small lambda…
We use molecular dynamics simulations to study a model of the gelation transition with a dynamic bond forming procedure. After establishing evidence for 3D percolation as the static universality class, we turn our attention to the dynamics…
Metallic hydrogen is expected to exhibit remarkable physics. Of particular interest in this work is the possibility of high-temperature superconductivity. Comparing calculations of the superconducting critical temperatures of the solid…
We use a one dimensional hydrodynamical code to study the evolution of spherically symmetric perturbations in the framework of Modified Newtonian Dynamics (MOND). The code evolves spherical gaseous shells in an expanding Universe by…
A series of electronic and structural transitions are predicted in molten lithium from first principles. A new phase with tetrahedral local order characteristic of $sp^3$ bonded materials and poor electrical conductivity is found at…
A unique property of metal nanoclusters is the "superatom" shell structure of their delocalized electrons. The electronic shell levels are highly degenerate and therefore represent sharp peaks in the density of states. This can enable…
In the process of molecular dynamics simulation studies of gold nanowires an interesting structure is discovered. This is a finite double-wall nanowire with a large empty core similar to single-wall and double-wall carbon nanotubes. The…
A two-dimensional crystal melts via the proliferation and unbinding of topological defects, yet quantitatively predicting the melting temperature $T_m$ in real systems is challenging. Here we resolve this discrepancy in quantum Hall…