Search results for "composition"
showing 10 items of 2675 documents
New methods of evaluation of the flavor composition in e+ e- annihilation by double hemisphere tagging at LEP / SLC energies
1995
Two new methods are proposed to extract the flavour contents of the events produced at LEP/SLC, together with the classification matrix of a tagging by hemispheres. By utilising the tagging obtained in both hemispheres, the efficiencies, backgrounds and flavour compositions are directly obtained by fitting the data. A minimal dependence on modelling and a consistent treatment of systematic errors are achieved by applying these methods. The choice of the tagging algorithm is irrelevant in the methods, provided that similar efficiencies are reached. As an example, a multivariate analysis technique combining the tracking information given by a microvertex detector has been applied to extract t…
Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
2010
The accuracy of auxiliary basis sets derived from Cholesky decomposition of two-electron integrals is assessed for excitation energies calculated at the state-average complete active space self-consistent field (CASSCF) and multiconfigurational second order perturbation theory (CASPT2) levels of theory using segmented as well as generally contracted atomic orbital basis sets. Based on 196 valence excitations in 26 organic molecules and 72 Rydberg excitations in 3 organic molecules, the results show that Cholesky auxiliary basis sets can be used without compromising the accuracy of the multiconfigurational methods. Specifically, with a decomposition threshold of 10(-4) au, the mean error due…
The 2014 KIDA network for interstellar chemistry
2015
Chemical models used to study the chemical composition of the gas and the ices in the interstellar medium are based on a network of chemical reactions and associated rate coefficients. These reactions and rate coefficients are partially compiled from data in the literature, when available. We present in this paper kida.uva.2014, a new updated version of the kida.uva public gas-phase network first released in 2012. In addition to a description of the many specific updates, we illustrate changes in the predicted abundances of molecules for cold dense cloud conditions as compared with the results of the previous version of our network, kida.uva.2011.
Sub-wavelength and non-periodic holes array based fully lensless imager
2011
Abstract We present a novel concept for microscopic imaging. The proposed microscope-like device does not include an objective lens neither a condenser. Instead, a metallic plate of sub-wavelength hole-array with a varying pitch is used to illuminate the inspected object that is mounted very close to it. As a result, the transmitted spectrum through each hole differs from the others and therefore, each spot of the detected object is illuminated with a unique spectrum. By measuring a single spectrum that is the sum of all the spectra that are transmitted through the sample and by using spectral decomposition algorithms, the spatial transmission pattern of the object can be extracted.
SU-E-T-508: Monte Carlo Dosimetric Study of the CSM40 Low Dose Rate Source
2013
Purpose: There is a LDR 137Cs brachytherapy source, CSM40, developed by Eckert & Ziegler BEBIG. Fundamental dosimetric datasets to be used on treatment planning systems do not exist for this source. This study aims to obtain quality dosimetric data for this source for its use in clinical practice as required by AAPM and ESTRO. Methods: Penelope2008 and GEANT4 Monte Carlo codes were used to characterize this source dosimetry. Water composition and mass density was that recommended by AAPM. Due to the typical energies of the 137 Cs, dose for small distances can be approximated by collisional kerma. Therefore, we have considered collisional kerma for r<20 cm. To provide adequate spatial resolu…
Polarizabilities of small annulenes from Cholesky CC2 linear response theory
2004
Using recently developed algorithms based on Cholesky decomposition of two-electron integrals to compute response properties at the correlated level, the static and dynamic (at 589 nm) polarizabilities of [4n + 2]-annulenes (n = 1, 2, 3, 4) have been calculated. The results show that the perpendicular component increases along the series linearly with the number of double bonds. The in-plane static polarizability is also increasing linearly with the area of the aromatic ring in the case of the delocalized species. However, linearity is lost for the localized conformations and for the dynamic polarizability. (C) 2004 Elsevier B.V. All rights reserved.
Simulation Software for Flow of Fluid with Suspended Point Particles in Complex Domains: Application to Matrix Diffusion
2013
Matrix diffusion is a phenomenon in which tracer particles convected along a flow channel can diffuse into porous walls of the channel, and it causes a delay and broadening of the breakthrough curve of a tracer pulse. Analytical and numerical methods exist for modeling matrix diffusion, but there are still some features of this phenomenon, which are difficult to address using traditional approaches. To this end we propose to use the lattice-Boltzmann method with point-like tracer particles. These particles move in a continuous space, are advected by the flow, and there is a stochastic force causing them to diffuse. This approach can be extended to include particle-particle and particle-wall…
Molecular dynamics study of phase separation kinetics in thin films.
2005
We use molecular dynamics to simulate experiments where a symmetric binary fluid mixture (AB), confined between walls that preferentially attract one component (A), is quenched from the one-phase region into the miscibility gap. Surface enrichment occurs during the early stages, yielding a B-rich mixture in the film center with well-defined A-rich droplets. The droplet size grows with time as l(t) proportional t(2/3) after a transient regime. The present atomistic model is also compared to mesoscopic coarse-grained models for this problem.
Computing Strong Shocks in Ultrarelativistic Flows: A Robust Alternative
1999
In recent years, shock capturing methods have started to be used in numerical simulations in Relativistic Fluid Dynamics (RFD). These techniques lead to explicit numerical codes that are able to successfully simulate the extreme conditions of the ultrarelativistic regime. After [2], an explicit, ready-to-use description of the full spectral decomposition of the Jacobian matrices of the RFD system is available, and this allows us to implement Marquina’s scheme [3] in RFD. The scheme is seen to maintain the good behavior shown in [3] with respect to certain numerical pathologies.
Biosilicification of loricate choanoflagellate: organic composition of the nanotubular siliceous costal strips of Stephanoeca diplocostata.
2010
SUMMARY Loricate choanoflagellates (unicellular, eukaryotic flagellates; phylum Choanozoa) synthesize a basket-like siliceous lorica reinforced by costal strips (diameter of approximately 100 nm and length of 3 μm). In the present study, the composition of these siliceous costal strips is described, using Stephanoeca diplocostata as a model. Analyses by energy-dispersive X-ray spectroscopy (EDX), coupled with transmission electron microscopy (TEM), indicate that the costal strips comprise inorganic and organic components. The organic, proteinaceous scaffold contained one major polypeptide of mass 14 kDa that reacted with wheat germ agglutinin. Polyclonal antibodies were raised that allowed …