Related papers: Phase changes in 38 atom Lennard-Jones clusters. I…
The structure of the 3-dimension pressure-temperature-asymmetry surface of equilibrium of the asymmetric nuclear matter is studied within the thermal Thomas-Fermi approximation. Special attention is paid to the difference of the asymmetry…
We examine in detail the causes of the structural transitions that occur for those small Lennard-Jones clusters that have a non-icosahedral global minima. Based on the principles learned from these examples we develop a method to construct…
We present a finite-temperature canonical-ensemble determinant quantum Monte Carlo algorithm that enforces an exact fermion number and enables stable simulations of correlated lattice fermions. We propose a stabilized QR update that reduces…
Thermodynamic properties of the four-dimensional cross-polytope model, the 16-cell model, which is an example of higher dimensional generalizations of the octahedron model, are studied on the square lattice. By means of the corner transfer…
We investigate the collective scattering of coherent light from a thermal alkali-metal vapor with temperatures ranging from 350 to 450 K, corresponding to average atomic spacings between $0.7 \lambda$ and $0.1 \lambda$. We develop a…
We introduce a massively parallel replica-exchange grand-canonical sampling algorithm to simulate materials at realistic conditions, in particular surfaces and clusters in reactive atmospheres. Its purpose is to determine in an automated…
Diffusion is often accompanied by a reaction or sorption which can induce temperature inhomogeneities. Monte Carlo simulations of Lennard-Jones atoms in zeolite NaCaA are reported with a hot zone presumed to be created by a reaction. Our…
The paper considers heat transport in diatomic one-dimensional lattices, containing equal amounts of particles with different masses. Ordering of the particles in the chain is governed by single correlation parameter -- the probability for…
Whether caused by AGN jets, shocks, or mergers, the most definitive evidence for heating in cluster cores comes from X-ray spectroscopy. Unfortunately such spectra are essentially limited to studying the emission spectrum from the cluster…
We study dipolarly coupled three dimensional spin systems in both the microcanonical and the canonical ensembles by introducing appropriate numerical methods to determine the microcanonical temperature and by realizing a canonical model of…
There is mounting observational evidence from Chandra for strong interaction between keV gas and AGN in cooling flows. It is now widely accepted that the temperatures of cluster cores are maintained at a level of 1 keV and that the mass…
A novel experimental scheme has been developed in order to measure the heat capacity of mass selected clusters. It is based on controlled sticking of atoms on clusters. This allows one to construct the caloric curve, thus determining the…
A systematic comparison of different isotopic temperatures with the thermodynamical temperature of a multifragment system is made on the basis of the Statistical Multifragmentation Model. It is demonstrated that isotopic temperatures are…
A method is proposed to approximate the unlimited subcritical set of Mayer`s reducible cluster integrals (i.e., the power coefficients of the known virial expansions for pressure and density in powers of activity) on the basis of…
The dynamic orientational order-disorder transition of clusters consisting of octahedral molecules is formulated in terms of symmetry-adapted rotator functions. The transition from a higher-temperature body-centered-cubic, orientationally…
We have carried out extensive equilibrium molecular dynamics (MD) simulations to investigate the Liquid-Vapor coexistence in partially miscible binary and ternary mixtures of Lennard-Jones (LJ) fluids. We have studied in detail the time…
Framing the glass formation within standard statistical mechanics is an outstanding problem of condensed matter theory. To provide new insight, we investigate the structural properties of the Lennard-Jones fluid in the very-low temperature…
The liquid-gas transition of an electroneutral mixture of oppositely charged colloids, studied by Monte Carlo simulations, is found in the low temperature -- low density region. The critical temperature shows a non-monotonous behavior as a…
A Langevin canonical framework for a chiral two--level system coupled to a bath of harmonic oscillators is developed within a coupling scheme different to the well known spin-boson model. Thermal equilibrium values are reached at asymptotic…
The heterogeneous condensation of a Lennard-Jones vapor onto a nanoscale seed particle is studied using molecular dynamics simulations. Measuring the nucleation rate and the height of the free energy barrier using the mean first passage…