27,325 research outputs found
Thermodynamical description of heavy ion collisions
We analyze the thermodynamical state of nuclear matter in transport
descriptions of heavy ion reactions. We determine thermodynamical variables
from an analysis of local momentum space distributions and compare to blast
model parameters from an analysis of fragment energy spectra. These
descriptions are applied to spectator and fireball matter in semi-central and
central Au+Au collisions at SIS-energies, respectively.Comment: 4 pages, 2 postscript-figures, to be published in the proceedings of
Bologna2000: Structure of the Nucleus at the Dawn of the Century, Bologna,
Italy, 29 May - 3 Jun 200
Testing Dirac-Brueckner models in collective flow of heavy-ion collisions
We investigate differential in-plane and out-of-plane flow observables in
heavy ion reactions at intermediate energies from AGeV within the
framework of relativistic BUU transport calculations. The mean field is based
on microscopic Dirac-Brueckner-Hartree-Fock (DBHF) calculations. We apply two
different sets of DBHF predictions, those of ter Haar and Malfliet and more
recent ones from the T\"ubingen group, which are similar in general but differ
in details. The latter DBHF calculations exclude spurious contributions from
the negative energy sector to the mean field which results in a slightly softer
equation of state and a less repulsive momentum dependence of the
nucleon-nucleus potential at high densities and high momenta. For the
application to heavy ion collisions in both cases non-equilibrium features of
the phase space are taken into account on the level of the effective
interaction. The systematic comparison to experimental data favours the less
repulsive and softer model. Relative to non-relativistic approaches one obtains
larger values of the effective nucleon mass. This produces a sufficient amount
of repulsion to describe the differential flow data reasonably well.Comment: 14 pages Revtex, 19 figures, discussion extended and two figures
added, accepted for publication in EPJ
Computational characterization and prediction of metal-organic framework properties
In this introductory review, we give an overview of the computational
chemistry methods commonly used in the field of metal-organic frameworks
(MOFs), to describe or predict the structures themselves and characterize their
various properties, either at the quantum chemical level or through classical
molecular simulation. We discuss the methods for the prediction of crystal
structures, geometrical properties and large-scale screening of hypothetical
MOFs, as well as their thermal and mechanical properties. A separate section
deals with the simulation of adsorption of fluids and fluid mixtures in MOFs
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