Search results for "defect"
showing 10 items of 879 documents
In-process calibration of a non-destructive testing system used for in-process inspection of multi-pass welding
2020
Abstract In multi-pass welding, there is increasing motivation to move towards in-process defect detection to enable real-time repair; thus avoiding deposition of more layers over a defective weld pass. All defect detection techniques require a consistent and repeatable approach to calibration to ensure that measured defect sizing is accurate. Conventional approaches to calibration employ fixed test blocks with known defect sizes, however, this methodology can lead to incorrect sizing when considering complex geometries, materials with challenging microstructure, and the significant thermal gradients present in materials during the inter-pass inspection period. To circumvent these challenge…
First principles calculations of oxygen reduction reaction at fuel cell cathodes
2020
This study was partly supported by M-ERA-NET project SunToChem (EK, YM). The computer resources were provided by Stuttgart Super-computing Center (Project DEFTD 12939). Authors thank E. Heifets, M. M. Kuklja, M. Arrigoni, D. Morgan, R. Evarestov, and D. Gryaznov for fruitful discussions.
Chalcogenide Glasses Based on Germanium Disulfide for Second Harmonic Generation
2007
International audience; High second-order susceptibilities are created by thermal poling in bulk germanium disulfide based chalcogenide glasses. Experimental conditions of the poling treatment (temperature, voltage, time) were optimized for each glass composition. The second-order nonlinear signals were recorded by using the Maker fringes experiment and a second-order coefficient χ(2) up to 8 pm V-1 was measured in the Ge25Sb10S65 glass. This value is obtained using a simulation based on accurate knowledge of the thickness of the nonlinear layer. Two mechanisms are proposed to explain the creation of a nonlinear layer under the anode: the formation and the migration of charged defects towar…
Cationic vacancies and anomalous spectral-weight transfer in Ti1−xTaxO2thin films studied via polarization-dependent near-edge x-ray absorption fine …
2013
We report the electronic structures of Ta-doped anatase TiO 2 thin films grown by pulsed laser deposition (PLD) with varying magnetization using a combination of first-principles calculations and near-edge x-ray absorption fine structure (NEXAFS) spectroscopy. The roles of Ta doping and Ti vacancies are clarified, and the observed room-temperature ferromagnetism is attributed to the localized magnetic moments at Ti vacancy sites ferromagnetically ordered by electron charge carriers. O K -edge spectra exhibit significant polarization dependence which is discussed and supported by first-principles calculations in relation to both the crystal symmetry and the formation of defects. In particula…
Pressure-induced band anticrossing in two adamantine ordered-vacancy compounds: CdGa2S4 and HgGa2S4
2021
Abstract This paper reports a joint experimental and theoretical study of the electronic band structure of two ordered-vacancy compounds with defect-chalcopyrite structure: CdGa2S4 and HgGa2S4. High-pressure optical-absorption experiments (up to around 17 GPa) combined with first-principles electronic band-structure calculations provide compelling evidence of strong nonlinear pressure dependence of the bandgap in both compounds. The nonlinear pressure dependence is well accounted for by the band anticrossing model that was previously established mostly for selenides with defect chalcopyrite structure. Therefore, our results on two sulfides with defect chalcopyrite structure under compressio…
Band Gap Engineering and Trap Depths of Intrinsic Point Defects in RAlO3 (R = Y, La, Gd, Yb, Lu) Perovskites
2021
The work was supported by the Polish National Science Centre (Project No. 2018/31/B/ST8/00774), by the NATO SPS Project G5647, and by the Ministry of Education and Science of Ukraine (Project DB/Kinetyka no. 0119U002249). L.V. acknowledges support of the National Research Foundation of Ukraine under Grant No. 2020.02/0373 “Crystalline phosphors’ engineering for biomedical applications, energy saving lighting and contactless thermometry”. Researchers from Tartu were supported by the ERDF fundings in Estonia granted to the Centre of Excellence TK141 “Advanced materials and high-technology devices for sustainable energetics, sensorics and nanoelectronics (HiTechDevices)” (Grant No. 2014-2020.4…
Detection of magnetic thin film impurity phases using nitrogen vacancy centers in diamond crystal
2019
We demonstrate the possibility to detect magnetic impurity phases in thin films using magnetic field imaging technique based on a layer of nitrogen-vacancy centers in the diamond lattice. We demonstrate results of magnetic field distributions created by impurity phases as well as mechanical defects on the thin film surface.
Ab initio calculations of charged point defects in GaN
2005
The Generalized Gradient Approximation (GGA) of a Density Functional Theory (DFT) in LCAO basis is used to determine electronic structure of charged point defects in hexagonal GaN. Impurities of MgGa, ZnGa, SiN and CN (the most common dopants) were considered for charge states 0, ±1, –2. The vacancies of VGa and VN were considered for charge states 0 and 0, ±1, ±2 respectively. The defects in consideration are compared from the point of view of the one-electron states localization. All the calculations were performed for a supercell containing 96 atoms. The divergence due to periodically repeated charges has been eliminated by the use of a uniform background charge of an opposite sign. (© 2…
Melting Process of the Sn-45 wt.% In and Sn-77 wt.% In Alloys as Viewed by Positron Annihilation
2006
The temperature dependences of the positron annihilation parameters F and R were determined for Sn–45 wt.% In and Sn–77 wt.% In alloys. The obtained results enabled to verify the vacancy and the quasicrystalline models of the melting process. It was found that for metals transforming into the liquid state from the structures different than the close packed structure, the melting transition are hardly explainable in terms of the vacancy model of melting. The strong trapping of positrons in metallic liquids is an indication of the presence of microvoids (vacancy clusters) or microcrystals containing defects more immense than vacancies. The share of these positron trapping centers in the volum…
Towards tunable defect arrangements in smectic liquid crystal shells utilizing the nematic–smectic transition in hybrid-aligned geometries
2012
We produce and investigate liquid crystal shells with hybrid alignment—planar at one boundary, homeotropic at the other—undergoing a transition between the nematic (N) and smectic-A (SmA) phases. The shells display a dynamic sequence of patterns, the details depending on the alignment agents and on the diameter and thickness of the shell. In shells of sufficient diameter we typically find a transient striped texture near the N–SmA transition, stabilising into a pattern of tiled, more or less regularly spaced focal conic domains in the SmA phase. The domain size and spacing decrease with reduced shell thickness. In case of strong homeotropic anchoring at one boundary and small shell size, ho…