The computation of a six-dimensional density matrix is the crucial step for the evaluation of kinetic energy in electronic structure calculations. For molecules with heavy nuclei, one has to consider a very refined mesh in order to deal with the nuclear cusps. This leads to high computational time and needs huge memory for the computation of the density matrix. To reduce the computational compl...

Kinetic energy from the oscillatory impacts of the grass stalk against a stationary object was measured with a kinetic energy measuring device. These energy inputs were measured as part of a resuspension experiment of uniform latex microspheres deposited on a single rye grass seed pod in a wind tunnel. The experiment was designed to measure resuspension from aerodynamic (viscous and turbulent) ...

Using a Nier-type electron impact ion source in combination with a double focusing two sector field mass spectrometer, partial cross sections for electron impact ionization of acetylene are measured for electron energies up to 1000 eV. Discrimination factors for ions are determined using the deflection field method in combination with a three-dimensional ion trajectory simulation of ions produc...

Current applications of frozen-density embedding (FDE)—or more generally subsystem density-functional theory (DFT) schemes—are limited to subsystems that are not connected by covalent bonds. This restriction is due to the insufficiencies of the available approximate kinetic-energy functionals, which are used to calculate the contribution of the nonadditive kinetic energy to the effective embedd...

Using high-resolution direct numerical simulation and arguments based on the kinetic energy flux Π(u), we demonstrate that, for stably stratified flows, the kinetic energy spectrum E(u)(k)∼k(-11/5), the potential energy spectrum E(θ)(k)∼k(-7/5), and Π(u)(k)∼k(-4/5) are consistent with the Bolgiano-Obukhov scaling. This scaling arises due to the conversion of kinetic energy to the potential ener...

The velocity mapping ion imaging method is applied to the ion-molecule reactions occurring between C(+) and NH(3). The velocity space images are collected over the relative collision energy range from 1.5 to 3.3 eV, allowing both product kinetic energy distributions and angular distributions to be obtained from the data. The charge transfer process appears to be direct, dominated by long-range ...

In this paper we present a new formulation of a large class of phase-eld models, which describe solidiication of a pure material and allow for both surface energy and interface kinetic anisotropy, in terms of the Hooman-Cahn-vector. The-vector has previously been used in the context of sharp interface models, where it provides an elegant tool for the representation and analysis of interfaces wi...

As part of the Coupled Boundary Layers Air–Sea Transfer (CBLAST)-Hurricane program, flights were conducted to directly measure turbulent fluxes and turbulence properties in the high-wind boundary layer of hurricanes between the outer rainbands. For the first time, vertical profiles of normalized momentum fluxes, sensible heat and humidity fluxes, and variances of three-dimensional wind velociti...

Level-sets provide powerful methods for the segmentation of deformable structures. They are able to handle protrusions and specific topological effects. In this work a particle system formulation of level-sets is introduced. It keeps all the advantages of the levelset approach for the segmentation of deformable structures, while it overcomes some of its drawbacks. In this approach the level-set...

[1] This study quantifies the level of turbulence inside the marine stratocumulus cloud deck over Pt. Reyes, CA, during the Marine Stratus Radiation, Aerosol, and Drizzle Experiment (MASRAD) in July 2005, and identifies the dominant sources of turbulent kinetic energy. We used vertical velocity data from a 3 mm wavelength (94‐GHz) vertically pointing Doppler radar in combination with collocated...