Search results for "electron density"

Scientific Merits and Analytical Challenges of Tree‐Ring Densitometry

2019

X-ray microdensitometry on annually resolved tree-ring samples has gained an exceptional position in last-millennium paleoclimatology through the maximum latewood density (MXD) parameter, but also increasingly through other density parameters. For 50 years, X-ray based measurement techniques have been the de facto standard. However, studies report offsets in the mean levels for MXD measurements derived from different laboratories, indicating challenges of accuracy and precision. Moreover, reflected visible light-based techniques are becoming increasingly popular, and wood anatomical techniques are emerging as a potentially powerful pathway to extract density information at the highest resol…

Diffusion-tensor MR imaging at 1.5 and 3.0 T: initial observations.

2001

Diffusion-tensor MR imaging was compared at 1.5 and 3.0 T. With sufficient signal-to-noise ratio, we found no differences in fractional anisotropy. With a 40% higher signal-to-noise ratio at 3.0 T, higher resolution could be obtained without introduction of noise-related errors, albeit at the cost of increased geometric distortions caused by 3.0-T magnetic field inhomogeneities.

SPI: The spectrometer aboard INTEGRAL

2003

SPI is a high spectral resolution gamma-ray telescope on board the ESA mission INTEGRAL (International Gamma Ray Astrophysics Laboratory). It consists of an array of 19 closely packed germanium detectors surrounded by an active anticoincidence shield of BGO. The imaging capabilities of the instrument are obtained with a tungsten coded aperture mask located 1.7 m from the Ge array. The fully coded field-of-view is 16º, the partially coded field of view amounts to 31º, and the angular resolution is 2.5º. The energy range extends from 20 keV to 8 MeV with a typical energy resolution of 2.5 keV at 1.3 MeV. Here we present the general concept of the instrument followed by a brief description of …

Bader’s topological analysis of the electron density in the pressure-induced phase transitions/amorphization in α-quartz from the catastrophe theory …

2013

In this work, the Bader's topological analysis of the electron density, coupled with Thom's catastrophe theory, was used to characterize the pressure-induced transformations in α-quartz. In particular, ab initio calculations of the α-quartz structures in the range 0-105 Gpa have been performed at the HF/DFT exchange-correlation terms level, using Hamiltonians based on a WC1LYP hybrid scheme. The electron densities calculated throughout the ab initio wave functions have been analysed by means of the Bader's theory, seeking for some catastrophic mechanism in the sense of Thom's theory. The analysis mainly showed that there is a typical fold catastrophe feature involving an O-O interaction at …

The pressure-induced ringwoodite to Mg-perovskite and periclase post-spinel phase transition: a Bader’s topological analysis of the ab initio electro…

2011

In order to characterize the pressure-induced decomposition of ringwoodite (c-Mg2SiO4), the topological analysis of the electron density q(r), based upon the theory of atoms in molecules (AIM) developed by Bader in the framework of the catastrophe theory, has been performed. Calculations have been carried out by means of the ab initio CRYSTAL09 code at the HF/DFT level, using Hamiltonians based on the Becke- LYP scheme containing hybrid Hartree– Fock/density functional exchange–correlation terms. The equation of state at 0 K has been constructed for the three phases involved in the post-spinel phase transition (ringwoodite -> Mg-perovskite + periclase) occurring at the transition zone–lower…

Bioimaging: Imaging Bacterial Colonies and Phage-Bacterium Interaction at Sub-Nanometer Resolution Using Helium-Ion Microscopy (Adv. Biosys. 8/2017)

2017

Airborne measurement of hot spot reflectance signatures

2004

The so-called hot spot is a fine directional signature of the surface reflectance observed for phase angles close to zero. In this paper, we analyze and discuss several such signatures acquired from the airborne POLDER and HyMap instruments during the DAISEX'99 campaign over agricultural crops. The observed signatures are very similar to those acquired from space at a resolution of several tens of kilometers [J. Geophys. Res. 107 (2002)], which provides further evidence that the hot spot is a scale-free feature. The hot spots can be fitted by a two-parameter function (amplitude and width) of the phase angle derived from canopy radiative transfer modeling. The model predicts that the amplitu…

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity.

2016

Indexación: Web of Science Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic and nucleophilic Parr functions, as the most relevant indices for the study of organic reactivity, are discussed. http://www.mdpi.com/1420-3049/21/6/748

Nondestructive full-field imaging XANES-PEEM analysis of cosmic grains

2006

For chemical analysis of submicron particles, mass spectrometric methods have the disadvantage of being destructive. Thus, a nondestructive elemental and chemical mapping with a high spatial resolution prior to mass analysis is extremely valuable to precharacterize the sample. Here, first results are presented of combined XANES (x-ray absorption near-edge structure) and PEEM (photoemission electron microscopy) measurements on a cosmic grain fraction from the Murchison meteorite. This nondestructive full-field imaging method is well suited for a quantitative analysis and for a preselection prior to detailed mass spectrometric investigations with isotopic resolution/selectivity. A spectral un…

The Role of Tissue Pressure and Bulk Flow in the Formation and Resolution of Cold-Induced Edema

1976

The mechanisms responsible for the dynamics of cold-induced edema, its spread and resolution, were examined. The findings indicate that bulk flow and not diffusion should be considered as the main mechanism for the edema spreading through the extracellular spaces of the white matter.