Search results for " Methods"
showing 10 items of 4102 documents
Structure and diffusion of oxygen and silicon interstitials in silicon
1999
Abstract Ab initio quantum chemical simulation of silicon interstitials and oxygen-related defects Oi, V–O2, and V–O4 in oxygen-containing silicon was performed using the embedded molecular cluster model. The defect geometry and electronic structure were studied. The migration activation energy for Oi defect was estimated as 2.73 eV at the atmospheric pressure, and 2.70, 2.68, and 1.92 eV for the lattice compressed by 0.25, 0.37, or 5.0 per cent, respectively. The activation energy of silicon interstitial is not changing with pressure. The molecular cluster used to simulate V–O4 defect with C2v symmetry was shown to have only slight deviation from D2d at atmospheric pressure, a strong devia…
Baseline design of the filters for the LAD detector on board LOFT
2014
The Large Observatory for X-ray Timing (LOFT) was one of the M3 missions selected for the phase A study in the ESA's Cosmic Vision program. LOFT is designed to perform high-time-resolution X-ray observations of black holes and neutron stars. The main instrument on the LOFT payload is the Large Area Detector (LAD), a collimated experiment with a nominal effective area of ~10 m 2 @ 8 keV, and a spectral resolution of ~240 eV in the energy band 2-30 keV. These performances are achieved covering a large collecting area with more than 2000 large-area Silicon Drift Detectors (SDDs) each one coupled to a collimator based on lead-glass micro-channel plates. In order to reduce the thermal load onto …
Theory of the growth mode for a thin metallic film on an insulating substrate
2002
We have developed a novel theory predicting the growth mode of a thin metallic film on an insulating substrate. This combines ab initio electronic structure calculations for several ordered metal/insulator interfaces (varying both coverage and substrate lattice constant), with a thermodynamic approach based on microscopic calculations. We illustrate this approach for Ag film deposited on MgO(0 0 1) substrate. Ab initio calculations predict high mobility of adsorbed silver atoms on the perfect magnesia surface even at low temperatures. Our theoretical analysis clearly demonstrates that the growth of metallic islands is predominant at the initial stage of silver deposition, which agrees with …
Incidence of DAA failure and the clinical impact of retreatment in real-life patients treated in the advanced stage of liver disease: Interim evaluat…
2017
Background: Few data are available on the virological and clinical outcomes of advanced liver disease patients retreated after first-line DAA failure. Aim: To evaluate DAA failure incidence and the retreatment clinical impact in patients treated in the advanced liver disease stage. Methods: Data on HCV genotype, liver disease severity, and first and second line DAA regimens were prospectively collected in consecutive patients who reached the 12-week post-treatment and retreatment evaluations from January 2015 to December 2016 in 23 of the PITER network centers. Results: Among 3,830 patients with advanced fibrosis (F3) or cirrhosis, 139 (3.6%) failed to achieve SVR. Genotype 3, bilirubin lev…
Efficacy of a 12-Week Simeprevir Plus Peginterferon/Ribavirin (PR) Regimen in Treatment-Naïve Patients with Hepatitis C Virus (HCV) Genotype 4 (GT4) …
2017
Background HCV GT4 accounts for up to 20% of HCV infections worldwide. Simeprevir, given for 12 weeks as part of a 24- or 48-week combination regimen with PR is approved for the treatment of chronic HCV GT4 infection. Primary study objectives were assessment of efficacy and safety of simeprevir plus PR in treatment-naïve patients with HCV GT4 treated for 12 weeks. Primary efficacy outcome was sustained virologic response 12 weeks post-treatment (SVR12). Additional objectives included investigation of potential associations of rapid virologic response and baseline factors with SVR12. Methods This multicentre, open-label, single-arm study (NCT01846832) evaluated efficacy and safety of simepre…
Generalized singly-implicit Runge-Kutta methods with arbitrary knots
1985
The aim of this paper is to derive Butcher's generalization of singly-implicit methods without restrictions on the knots. Our analysis yields explicit computable expressions for the similarity transformations involved which allow the efficient implementation of the first phase of the method, i.e. the solution of the nonlinear equations. Furthermore, simple formulas for the second phase of the method, i.e. computation of the approximations at the next nodal point, are established. Finally, the matrix which governs the stability of the method is studied.
Site symmetry approach applied to the supercell model of MgAl2O4 spinel with oxygen interstitials: Ab initio calculations
2018
This study has been carried out within the framework of the EUROfusion Consortium and has been provided funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The authors are indebted to E.A. Kotomin, A.I. Popov and R. Vila for stimulating discussions. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Calculations have been performed using both the Marconi supercomputer system at the Computational Simulation Centre (Italy) and the Computer Center of St. Petersburg State University.
Multidomain spectral method for the Gauss hypergeometric function
2018
International audience; We present a multidomain spectral approach for Fuchsian ordinary differential equations in the particular case of the hypergeometric equation. Our hybrid approach uses Frobenius’ method and Moebius transformations in the vicinity of each of the singular points of the hypergeometric equation, which leads to a natural decomposition of the real axis into domains. In each domain, solutions to the hypergeometric equation are constructed via the well-conditioned ultraspherical spectral method. The solutions are matched at the domain boundaries to lead to a solution which is analytic on the whole compactified real line R∪∞, except for the singular points and cuts of the Rie…
3D objects descriptors methods: Overview and trends
2017
International audience; Object recognition or object's category recognition under varying conditions is one of the most astonishing capabilities of human visual system. The scientists in computer vision have been trying for decades to reproduce this ability by implementing algorithms and providing computers with appropriate tools. Hence, several intelligent systems have been proposed. To act in this field, numerous approaches have been proposed. In this paper we present an overview of the current trend in 3D objects recognition and describe some representative state of the art methods, highlighting their limits and complexity.
Navigation accuracy after automatic- and hybrid-surface registration in sinus and skull base surgery.
2016
Objective Computer-aided-surgery in ENT surgery is mainly used for sinus surgery but navigation accuracy still reaches its limits for skull base procedures. Knowledge of navigation accuracy in distinct anatomical regions is therefore mandatory. This study examined whether navigation accuracy can be improved in specific anatomical localizations by using hybrid registration technique. Study design Experimental phantom study. Setting Operating room. Subjects and methods The gold standard of screw registration was compared with automatic LED-mask-registration alone, and in combination with additional surface matching. 3D-printer-based skull models with individual fabricated silicone skin were u…