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By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as their hydrodynamic behavior. We focus on the evolution of the ...
We give a procedure for deriving certain bulk S-matrix elements from corresponding boundary correlators. These are computed in the plane-wave limit, via an explicit construction of certain boundary sources that give bulk wave packets. A critical role is pl ...
Zinc oxide nanoparticles were produced by aqueous precipitation in mild hydrothermal conditions (90 ◦C). Well crystallized regular roundish particles were obtained, with a very narrow size distribution. The influence of soft templates (organic species) to ...
In a recent publication, Haestier [J. Appl. Cryst. (2009), 42, 798-809] has proposed a method to take care of the unit-cell-parameter uncertainties in the calculation of geometric quantities such as interatomic distances and bond angles by modifying the un ...
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors that pervade many ...
We performed particle size and particle size distribution measurements for L-cysteine-stabilized ZnS/Mn nanoparticles in the size region below 10 nm. For this we applied transmission electron microscopy (TEM), analytical ultracentrifugation (AUC), dynamic ...
We study the flow of grains in a bi-dimensional hopper. We propose a simple continuous probabilistic flow model: from uniformly random positions in the hopper, particles evolve without interaction towards the hopper aperture and jamming occurs if sufficien ...
Many of the complex physical processes relevant for compositional multi-phase flow in porous media are well understood at the pore-scale level. In order to study CO2 storage in sub-surface formations, however, it is not feasible to perform simulations at t ...
Sixty-three iron-containing particles from five field campaigns (PELTI, ACE-Asia, MILAGRO (urban location and aloft on NCAR C-130), INTEX-B) were characterized with scanning transmission X-ray microscopy and near-edge X-Ray absorption fine structure L-edge ...
This study describes methods developed for reliable quantification of size- and element-specific release of engineered nanoparticles (ENP) from consumer spray products. A modified glove box setup was designed to allow controlled spray experiments in a part ...
