Search results for "solution"

Ab initiothermodynamics ofBacSr(1−c)TiO3solid solutions

2005

Based on ab initio calculations for a number of the ${\mathrm{Ba}}_{\mathrm{c}}{\mathrm{Sr}}_{(1\ensuremath{-}\mathrm{c})}\mathrm{Ti}{\mathrm{O}}_{3}$ (BST) superlattices, we developed a thermodynamic approach to these solid solutions. In particular, we calculate the BST phase diagram and show that at relatively low temperatures (below $400\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ for $c=0.5$ and $300\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ for $c=0.1$) the spinodal decomposition of the solid solution occurs. As a result, we predict for small Ba concentrations formation of $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$ nanoregions in a predominantly $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ matrix and …

Compared regimes of NDVI and Rainfall in semi-arid regions of Africa

2006

International audience; Bi-monthly normalized difference vegetation index (NDVI) at an 8km spatial resolution from the advanced very high resolution radiometers (AVHRR) was used from 1981 to 1995 to analyse the vegetation response to rainfall supply in semi-arid regions of Africa. Within the 200-600 mm annual rainfall belt, for which the apparent NDVI response to rainfall was the strongest, three regions were selected which exhibited different patterns in their NDVI regimes and/or relationships with rainfall. The regions, located in western, southern and eastern Africa, were split into coherent sub-regions in terms of mean regime of photosynthetic activity through a cluster analysis. Overal…

Correlating Solution‐ and Solid‐State Structures of Conformationally Flexible Resorcinarenes: Significance of a Sulfonyl Group in Intramolecular Self…

2020

Abstract The synthesis of tetramethoxyresorcinarene podands bearing p‐toluene arms connected by ‐SO3‐ (1) and ‐CH2O‐ (2) linkers is presented herein. In the solid state, the resorcinarene podand 1 forms an intramolecular self‐inclusion complex with the pendant p‐toluene group of a podand arm, whereas the resorcinarene podand 2 does not show self‐inclusion. The conformations of the flexible resorcinarene podands in solution were investigated by variable‐temperature experiments using 1D and 2D NMR spectroscopic techniques as well as by computational methods, including a conformational search and subsequent DFT optimisation of representative structures. The 1H NMR spectra of 1 and 2 at room te…

Aqueous Supramolecular Polymers and Hydrogels

2019

GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set

1990

The algorithm used by the program GEPOL to compute the Molecular Surface (MS), as defined by Richards, is presented in detail. GEPOL starts like other algorithms from a set of spheres with van der Waals radii, centered on the atoms or group of atoms of the molecule. GEPOL computes the MS by first searching the spaces inaccessible to the solvent and consequently filling them with a new set of spheres. Here we study the behavior of the method with its parameters, presenting several examples of application.

Electric Field-Induced Surface Melting of Gold Observed In Situ at Room Temperature and at Atomic Resolution Using TEM

2019

MULTIRESOLUTION ANALYSIS FOR IRREGULAR MESHES WITH APPEARANCE ATTRIBUTES

2004

We present a new multiresolution analysis framework based on the lifting scheme for irregular meshes with attributes. We introduce a surface prediction opera- tor to compute the detail coefficients for the geometry and the attributes of the model. Attribute analysis gives appearance information to complete the geomet- rical analysis of the model.We present an application to adaptive visualization and some experimental results to show the efficiency of our framework.

Multiresolution Analysis for Meshes with Appearance Attributes

2005

International audience; We present a new multiresolution analysis framework for irregular meshes with attributes based on the lifting scheme. We introduce a surface prediction operator to compute the detail coefficients for the geometry and the attributes of the model. Attribute analysis gives appearance information to complete the geometrical analysis of the model. A set of experimental results are given to show the efficiency of our framework. We present two applications to adaptive visual-ization and denoising.

Study on Interfacial Surface in Modified Spray Tower

2019

This paper presents an analysis of the changes in interfacial surface and the size of droplets formed in a spray tower. The interfacial surface and the size of droplets formed are of fundamental importance to the performance of the equipment, both in terms of pressure drop and process efficiency. Liquid film and droplet sizes were measured using a microphotography technique. The confusors studied were classical, with profiled inside surface, and with double profiled inside surface. The liquids studied were water and aqueous solutions of high-molecular polyacrylamide (PAA) of power-law characteristics. The ranges of process Reynolds number studied were as follows: ReG &isin

Surface temperature and water vapour retrieval from MODIS data

2003

This paper gives operational algorithms for retrieving sea (SST), land surface temperature (LST) and total atmospheric water vapour content (W) using Moderate Resolution Imaging Spectroradiometer (MODIS) data. To this end, the MODTRAN 3.5 radiative transfer program was used to predict radiances for MODIS channels 31, 32, 2, 17, 18 and 19. To analyse atmospheric effects, a simulation with a set of radiosonde observations was used to cover the variability of surface temperature and water vapour concentration on a worldwide scale. These simulated data were split into two sets (DB1 and DB2), the first one (DB1) was used to fit the coefficients of the algorithms, while the second one (DB2) was u…