Search results for "Note"
showing 10 items of 10709 documents
D2hTDS-ST Software for Stark Spectrum Simulation of X2Y4 Asymmetric-Top Molecules
2011
Abstract We present the D 2 h TDS-ST ( D 2 h -Top Data System for Stark effect) program suite with the aim to simulate Stark spectra of any IR active rovibrational polyad of X 2 Y 4 ( D 2 h ) asymmetric-top molecules. D 2 h TDS-ST consists in a series of FORTRAN programs called by scripts. For calculation of Stark spectra, we obtained the expressions of the dipole moment and polarizability operators of X 2 Y 4 molecules using a tensorial formalism. For convenience, we integrated the D 2 h TDS-ST programs into the D 2 h TDS package. The D 2 h TDS suite (including the D 2 h TDS-ST programs) is freely available at the URL: http://icb.u-bourgogne.fr/OMR/SMA/SHTDS/D2HTDS.html .
Testing a portable laser-induced breakdown spectroscopy system on geological samples.
2012
9 pages; International audience; This paper illustrates the potentialities of a home-made portable LIBS (laser-induced breakdown spectroscopy) instrument in Earth sciences, more particularly in geochemically recognizing (i) tephra layers in lacustrine sediments and (ii) fossilization processes in ammonites. Abundances for selected lines of Al, Ca, Fe, Ti, Ba and Na were determined in lacustrine chalk sediments of the Jura, where the Laacher See Tephra (LST) layer is recorded. A statistical treatment of elemental maps produced from the section of a sedimentary column containing the LST event allows instrumental conditions to be optimized. Accumulating spectra from close shot positions gives …
Cerdioxid schützt vor marinem Fouling
2017
Demethanization of aqueous anaerobic effluents using a polydimethylsiloxane membrane module: Mass transfer, fouling and feasibility
2017
Abstract The performance, fouling and feasibility of a polydimethylsiloxane hollow fibre membrane module for in situ methane degasification from the effluent of an Expanded Granular Sludge Bed anaerobic reactor has been investigated. Experiments at different operational conditions were carried out (liquid flow, sweep gas flow and vacuum pressure) with maximum removal efficiency (77%) at lowest flow-rate (0.4 L h−1), highest vacuum gauge pressure (−800 mbar) and liquid flowing in lumen side. Mass transport analysis denoted a considerably higher methane transfer than that predicted (attributed to liquid oversaturation). An enhancement factor for liquid phase has been proposed to correlate the…
A numerical approach for the modelling of forming limits in hot incremental forming of AZ31 magnesium alloy
2021
AbstractMagnesium alloys, because of their good specific material strength, can be considered attractive by different industry fields, as the aerospace and the automotive one. However, their use is limited by the poor formability at room temperature. In this research, a numerical approach is proposed in order to determine an analytical expression of material formability in hot incremental forming processes. The numerical model was developed using the commercial software ABAQUS/Explicit. The Johnson-Cook material model was used, and the model was validated through experimental measurements carried out using the ARAMIS system. Different geometries were considered with temperature varying in a…
Mechanical properties of basalt fiber reinforced composites manufactured with different vacuum assisted impregnation techniques
2016
Abstract This work describes an experimental mechanical characterisation campaign on composites made out of a quasi-unidirectional basalt fabric. In order to evaluate the ability of commercial basalt fabrics and their composites to meet the potentials of basalt fibers, the work has used raw materials from commercial catalogs with no further modification. Two common manufacturing techniques for medium performance composites have been adopted: vacuum assisted resin infusion, and hand-impregnated vacuum bagging. Two panels, one for each technique, have been fabricated, able to provide a sufficient number of samples for a comprehensive stiffness and strength characterization through Tensile, Fl…
Of Thiols and Disulfides: Methods for Chemoselective Formation of Asymmetric Disulfides in Synthetic Peptides and Polymers.
2018
In protein or peptide chemistry, thiols are frequently chosen as a chemical entity for chemoselective modification reactions. Although it is a well-established methodology to address cysteines and homocysteines in aqueous media to form S-C bonds, possibilities for the chemoselective formation of asymmetric disulfides have been less approached. Focusing on bioreversibility in conjugation chemistry, the formation of disulfide bonds is highly desirable for the attachment of thiol-containing bioactive agents to proteins or in cross-linking reactions, because disulfide bonds can combine stability in blood with degradability inside cells. In this Concept article, recent approaches in the field of…
Analysis of the Electronic Structure of Non-Spherical Ligand-Protected Metal Nanoclusters: The Case of a Box-Like Ag67
2016
In this work we introduce a new strategy to investigate the electronic shell structure of ligand-protected metal nanoclusters of polyhedral core shape. The central idea is to identify the symmetry of the Kohn–Sham molecular orbitals of an atomistic structure based on their projection onto the electronic states of a jellium system with a similar shape of the background charge density. Herein, we study the connection between a reduced atomistic model of the recently reported box-like [Ag67(SR)32(PR3)8]3+ nanocluster and a jellium box consisting of 32 free electrons. With this approach, we determine the symmetry of electronic states of the metal core and identify those that are involved in the…
Inhomogeneous free-electron distribution in InN nanowires: Photoluminescence excitation experiments
2010
Photoluminescence excitation (PLE) spectra have been measured for a set of self-assembled InN nanowires (NWs) and a high-crystalline quality InN layer grown by molecular-beam epitaxy. The PLE experimental lineshapes have been reproduced by a self-consistent calculation of the absorption in a cylindrical InN NW. The differences in the PLE spectra can be accounted for the inhomogeneous electron distribution within the NWs caused by a bulk donor concentration $({N}_{D}^{+})$ and a two-dimensional density of ionized surface states $({N}_{ss}^{+})$. For NW radii larger than 30 nm, ${N}_{D}^{+}$ and ${N}_{ss}^{+}$ modify the absorption edge and the lineshape, respectively, and can be determined f…
How does graphene enhance the photoelectric conversion efficiency of dye sensitized solar cells? An insight from a theoretical perspective
2019
The main goal of this work is to clearly answer the question from a theoretical perspective: how does graphene enhance the photoelectric conversion efficiency in the semiconducting layer of a dye sensitized solar cell? Several arrangements of the graphene layer between the dye molecule and the TiO2 (101) surface are carefully studied and discussed. The dynamic interfacial electron propagations are simulated with consideration of the underlying nuclear motion effect. Theoretical investigation shows that graphene can speed up the electron injection from the dye molecules to the semiconductor layer, only when the graphene sheet is bonded to the TiO2 surface via C–Ti bonds. The excited electron…