Search results for "Lysis"
showing 10 items of 34769 documents
Determination of impurity distributions in ingots of solar grade silicon by neutron activation analysis
2017
AbstractIn a series of crystallization experiments, the directional solidification of silicon was investigated as a low cost path for the production of silicon wafers for solar cells. Instrumental neutron activation analysis was employed to measure the influence of different crystallization parameters on the distribution of 3d-metal impurities of the produced ingots. A theoretical model describing the involved diffusion and segregation processes during the solidification and cooling of the ingots could be verified by the experimental results. By successive etching of the samples after the irradiation, it could be shown that a layer of at least 60 μm of the samples has to be removed to get r…
Broadband Ultrahigh-Resolution Spectroscopy of Particle-Induced X Rays: Extending the Limits of Nondestructive Analysis
2016
Nondestructive analysis (NDA) based on x-ray emission is widely used, for example, in the semiconductor and concrete industries. Here, we demonstrate significant quantitative and qualitative improvements in broadband x-ray NDA by combining particle-induced emission with detection based on superconducting microcalorimeter arrays. We show that the technique offers great promise in the elemental analysis of thin-film and bulk samples, especially in the difficult cases where tens of different elements with nearly overlapping emission lines have to be identified down to trace concentrations. We demonstrate the efficiency and resolving capabilities by spectroscopy of several complex multielement …
Thermal oxidation of the intermetallic phases Al 8 Mo 3 and AlMo 3
2017
Abstract The thermal oxidation reactions of the intermetallic phases Al8Mo3 and AlMo3 were investigated and analyzed by ex-situ powder-x-ray diffraction (XRD), difference thermal analysis (DTA), thermogravimetry (TGA), and infrared spectroscopy (IR). The initial oxidation reactions in air were found to yield Al2O3 and AlMo3 in the case of Al8Mo3 (Tonset =725 °C), and MoO3 as well as Al8−xMo3 (Tonset =435 °C) for the pure intermetallic phase AlMo3, respectively. Thus, both intermetallic phases are coexisting in an equilibrium within a temperature range of 300 °C under oxidizing conditions. The formation of β-Al2(MoO4)3 followed the second oxidizing process of the respective minority componen…
Oxy-nitrides characterization with a new ERD-TOF system
2017
Abstract A new time-of-flight (TOF) camera was installed on Elastic Recoil Detection (ERD) measurement setup on the Tandem Accelerator at Universite de Montreal. The camera consists of two timing detectors, developed and built by the Jyvaskyla group, that use a thin carbon foil and microchannel plates (MCP) to produce the start and stop signals. The position of the first detector is fixed at 18 cm from the target, while the position of the second detector can be varied between 50 and 90 cm from the first detector. This allows to increase time resolution by increasing the distance between the time-of-flight detectors or to increase solid angle by decreasing the distance. Moving the detector …
The Effect of the Harmonic Content Generated by AC/DC Modular Multilevel Converters on HVDC Cable Systems
2019
With the increasing penetration of renewable and decentralized energy sources into the power grid, an extended use of DC voltages is expected on both distribution and transmission levels. Generation of DC voltages by means of voltage source converters is associated with a wide spectrum of harmonic distortions at converter terminals, both on the ac and on the dc sides. This can lead to partial discharges in power cables, which deteriorate insulation material thus weakening its performance and reducing cable life-time. In the previously published paper, the effect of harmonic distortion on appearance of partial discharges in cable insulation was evaluated. Here, the study related to the PD be…
Computer-aided analysis and design procedure for rotating induction machine magnetic circuits and windings
2018
The aim of this study is to present a new, accurate, and user-friendly software procedure for the analysis and rapid design of rotating induction machine windings, considering both the electric and the magnetic specifications of the machine itself. This procedure is a valid aid for quick first stage design without the necessity of using finite element method (FEM)-based design procedures. FEM can be used in a second design phase in order to refine the first stage results. The design procedure is hereafter outlined and some examples show its capability.
Hydrogen bonding interaction of N5H with water: A first principle calculations
2019
Abstract The cyclopentazol (N5H) and its anion counterpart (N5–) have been studied extensively over the years and detected in the gas phase as well as in solution recently. In the present investigation, an attempt has been made to understand the interaction with water molecule using first principle calculations. Nature of interactions have been studied using both energy decomposition analysis and atoms in molecule (AIM) theory calculations. Further, the strength of non-covalent interactions were analysed using IGMplots.
Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase
2017
Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope effect (EKIE). Using quantum mechanical and molecular mechanical (QM/MM) molecular dynamics (MD) simulations, we study the mechanism of the hPNP enzyme and the dynamic effects by means of the calculation of the recrossing transmission coefficient. A free energy surface (FES), as a function of both a chemical and an environmental coordinate, is obtained to show the role of the environment on the chemical reaction. Analysis of reactive and nonreactive trajectories allows us …
Adaptive Finite Temperature String Method in Collective Variables.
2017
Here we present a modified version of the on-the-fly string method for the localization of the minimum free energy path in a space of arbitrary collective variables. In the proposed approach the shape of the biasing potential is controlled by only two force constants, defining the width of the potential along the string and orthogonal to it. The force constants and the distribution of the string nodes are optimized during the simulation, improving the convergence. The optimized parameters can be used for umbrella sampling with a path CV along the converged string as the reaction coordinate. We test the new method with three fundamentally different processes: chloride attack to chloromethane…
Unravelling the kinetics and molecular mechanism of the degenerate Cope rearrangement of bullvalene
2020
The kinetics and molecular mechanism of the gas phase degenerate Cope rearrangement (DCR) of bullvalene have been investigated by applying quantum mechanical calculations. Highly accurate energies (CBS-QB3 and CBS-APNO) and RRKM calculations were employed to study the kinetics and ‘fall-off’ behavior. It was found that the DCR of bullvalene (C3v) occurs through a bishomoaromatic transition structure (C2v) with an energy barrier of ∼49 kJ mol−1. The calculated activation energy and enthalpy were in good agreement with the available values in the literature, but lower than those of common Cope rearrangement; this result is related to the high stabilization energy due to the interaction of the…