Minimum-weight springs

Load deflection curves for minimum weight spring

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

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