Search results for "INTEGRAL"
showing 10 items of 902 documents
Kirkwood-Buff integrals from molecular simulation
2019
The Kirkwood-Buff (KB) theory provides a rigorous framework to predict thermodynamic properties of isotropic liquids from the microscopic structure. Several thermodynamic quantities relate to KB integrals, such as partial molar volumes. KB integrals are expressed as integrals of RDFs over volume but can also be obtained from density fluctuations in the grand-canonical ensemble. Various methods have been proposed to estimate KB integrals from molecular simulation. In this work, we review the available methods to compute KB integrals from molecular simulations of finite systems, and particular attention is paid to finite-size effects. We also review various applications of KB integrals comput…
Estimation of peak capacity based on peak simulation.
2018
Peak capacity (PC) is a key concept in chromatographic analysis, nowadays of great importance for characterising complex separations as a criterion to find the most promising conditions. A theoretical expression for PC estimation can be easily deduced in isocratic elution, provided that the column plate count is assumed constant for all analytes. In gradient elution, the complex dependence of peak width with the gradient program implies that an integral equation has to be solved, which is only possible in a limited number of situations. In 2005, Uwe Neue developed a comprehensive theory for the calculation of PC in gradient elution, which is only valid for certain situations: single linear …
Enhancement in the computation of gradient retention times in liquid chromatography using root-finding methods.
2019
Abstract Gradient elution may provide adequate separations within acceptably short times in a single run, by gradually increasing the elution speed. Similarly to isocratic elution, chromatograms can be predicted under any experimental condition, through strategies based on retention models. The most usual approach implies solving an integral equation (i.e., the fundamental equation of gradient elution), which has an analytical solution only for certain combinations of retention model and gradient programme. This limitation can be overcome by using numerical integration, which is a universal approach although at the cost of longer computation times. In this work, several alternatives to impr…
Experimental determination of mode I fracture parameters in orthotropic materials by means of Digital Image Correlation
2020
Abstract The mode I fracture parameters for an orthotropic body are directly calculated from full-field deformation measurements provided by Digital Image Correlation (DIC). Three complementary and direct approaches are evaluated and compared: (i) the determination of the Stress Intensity Factor (SIF) by fitting the displacement field using the analytical expression proposed by Lekhnitskii; (ii) the determination of the J-Integral by using the Energy Domain Integral (EDI) formulation on the raw DIC data; and (iii) the calculation of the J-Integral using the EDI approach on the displacement data fitted using Lekhnitskii’s formulation. A comparative experimental study is performed by testing …
The Athena X-ray Integral Field Unit: a consolidated design for the system requirement review of the preliminary definition phase
2023
The Athena X-ray Integral Unit (X-IFU) is the high resolution X-ray spectrometer, studied since 2015 for flying in the mid-30s on the Athena space X-ray Observatory, a versatile observatory designed to address the Hot and Energetic Universe science theme, selected in November 2013 by the Survey Science Committee. Based on a large format array of Transition Edge Sensors (TES), it aims to provide spatially resolved X-ray spectroscopy, with a spectral resolution of 2.5 eV (up to 7 keV) over an hexagonal field of view of 5 arc minutes (equivalent diameter). The X-IFU entered its System Requirement Review (SRR) in June 2022, at about the same time when ESA called for an overall X-IFU redesign (i…
ATHENA X-IFU thermal filters development status toward the end of the instrument phase-A
2018
Copyright 2018 Society of Photo-Optical Instrumentation Engineers (SPIE). One print or electronic copy may be made for personal use only. Systematic reproduction and distribution, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper are prohibited. The X-ray Integral Field Unit (X-IFU) is one of the two instruments of the Athena astrophysics space mission approved by ESA in the Cosmic Vision 2015-2025 Science Programme. The X-IFU consists of a large array of transition edge sensor micro-calorimeters that will operate at 100 mK inside a sophisticated cryostat. A set of thin filters, highly transparent to X-rays, will be m…
IBIS: The Imager on-board INTEGRAL
2003
The IBIS telescope is the high angular resolution gamma-ray imager on-board the INTEGRAL Observatory, successfully launched from Baikonur (Kazakhstan) the 17th of October 2002. This medium size ESA project, planned for a 2 year mission with possible extension to 5, is devoted to the observation of the gamma-ray sky in the energy range from 3 keV to 10 MeV (Winkler 2001). The IBIS imaging system is based on two independent solid state detector arrays optimised for low ( 15-1000 keV) and high ( 0.175-10.0 MeV) energies surrounded by an active VETO System. This high efficiency shield is essential to minimise the background induced by high energy particles in the highly excentric out of van All…
First observations of the X-ray transient EXO 2030+375 with IBIS/ISGRI
2003
We present a first INTEGRAL observation of the 42s transient X-ray pulsar EXO 2030+375 with IBIS/ISGRI. The source was detected during Cyg X-1 observations in December 2002. We analyzed observations during the outburst period from 9 to 21 December 2002 with a total exposure time of ~770 kiloseconds. EXO 2030+375 was almost always detected during single ~30 minute exposures in the 18-45 energy bands. The source light curve shows the characteristic outburst shape observed in this source.
Darboux systems with a cusp point and pseudo-abelian integrals
2018
International audience; We study pseudo-abelian integrals associated with polynomial deformations of Darboux systems having a cuspidal singularity. Under some genericity hypothesis we provide locally uniform boundedness of on the number of their zeros.
Spectral approach to D-bar problems
2017
We present the first numerical approach to D-bar problems having spectral convergence for real analytic, rapidly decreasing potentials. The proposed method starts from a formulation of the problem in terms of an integral equation that is numerically solved with Fourier techniques. The singular integrand is regularized analytically. The resulting integral equation is approximated via a discrete system that is solved with Krylov methods. As an example, the D-bar problem for the Davey-Stewartson II equations is considered. The result is used to test direct numerical solutions of the PDE.© 2017 Wiley Periodicals, Inc.