Search results for "structural"
showing 10 items of 5047 documents
Wpływ składu chemicznego i mikrostruktury na odporność stali na niszczenie wodorowe
2014
W pracy przedstawiono podsumowanie dotychczasowych wyników badań i poglądów dotyczących czynników wywierających wpływ na odporność stali na niszczenie wodorowe. O degradacji stali eksploatowanych w warunkach oddziaływania wodoru w głównej mierze decyduje ich stan, a w szczególności mikrostruktura,technologia wytwarzania oraz defekty występujące w ich strukturze.
Algorithmic issues in computational intelligence optimization: from design to implementation, from implementation to design
2016
The vertiginous technological growth of the last decades has generated a variety of powerful and complex systems. By embedding within modern hardware devices sophisticated software, they allow the solution of complicated tasks. As side effect, the availability of these heterogeneous technologies results into new difficult optimization problems to be faced by researchers in the field. In order to overcome the most common algorithmic issues, occurring in such a variety of possible scenarios, this research has gone through cherry-picked case-studies. A first research study moved from implementation to design considerations. Implementation limitations, such as memory constraints and real-time r…
Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on m…
2017
We re-investigate the image charge model of Iori and Corni (Iori and Corni, J. Comput. Chem. 2008, 29, 1656). We find that a simple symmetrization of their model allows to obtain quantitatively correct results for the electrostatic interaction of a water molecule with a metallic surface. This symmetrization reduces the magnitude of the electrostatic interaction to less than 10% of the total interaction energy. © 2017 Wiley Periodicals, Inc.
Teachers' attitudes and self-efficacy on implementing inclusive education in Japan and Finland: A comparative study using multi-group structural equa…
2018
Abstract This study aims to explore relationships between teachers' attitudes, self-efficacy, and background variables regarding inclusive education by using a sample of 359 Japanese and 872 Finnish teachers. A multi-group structural equation modelling was conducted to find similarities and differences in how the background variables predict teachers' attitudes and self-efficacy. Experience in teaching students with disabilities had a positive effect on teachers' attitudes and self-efficacy in both countries. However, teachers' teaching career and the amount of inclusive education training affected them differently in Japan and Finland. The findings could be used to improve inclusive educat…
Fe and Zn co-substituted beta-tricalcium phosphate (β-TCP): Synthesis, structural, magnetic, mechanical and biological properties
2020
This work was supported by the European Social Fund under the No. 09.3.3- LMT-K-712 “Development of Competences of Scientists, other Researchers and Students through Practical Research Activities” measure. AK would like to express sincere gratitude for Fellowship administrated by The Japan Society for the Promotion of Science (JSPS). Fellow’s ID No.: L12546. Authors are grateful to R. Vargalis (Vilnius University) for taking SEM images. © 2020. This work is licensed under a CC BY-NC-ND license.
Gold(I)-catalyzed intermolecular oxyarylation of alkynes: unexpected regiochemistry in the alkylation of arenes.
2009
The reaction between acetylenes and sulfoxides, studied as a test case for gold-catalyzed intermolecular addition, provides the oxyarylation compounds 3 in good yields. Unpredictably, in all cases a single regioisomer arising from the electrophilic aromatic alkylation at the position adjacent to the sulfur atom is obtained instead of the expected Friedel−Crafts regioisomer. A new concerted mechanism based on DFT calculations is proposed to account for the products in this intermolecular gold(I)-catalyzed reaction.
Trivalent cation substitution of pulverulent cobalt—iron molybdates Co1 − xFexMoO4
1998
Abstract Different mixed cobalt—iron molybdates Co1 − xFexMoO4 (0 ≤ x ≤ 1) have been prepared by means of a ceramic process. The oxidation of pulverulent samples leads to ferric molybdate Fe2(MoO4)3, spinelle Co3O4 and cobalt molybdate CoMoO4. After a strong grinding which reduces the grain size (about 0.1 μm) and induces crystallographic defects in the grains, the cobalt—iron molybdates can be partially oxidized into cation-deficient phases. This oxidation corresponds to an isostructural substitution of part of the Fe2+ and Co2+ ions by Fe3+ and Co3+ ions and the creation of cation vacancies. The concomitant presence of trivalent cations and associated cation vacancies in the lattice stabi…
Molybdenum blue: Binding to collagen fibres and microcrystal formation
2005
Collagen fibres have been shown by transmission electron microscopy to progressively bind the polyoxomolybdate ring-complex, termed molybdenum blue. Nucleation of cuboidal molybdenum blue microcrystals occurs on the surface of the collagen fibres, leading eventually to extensive coating of the fibres with microcrystals.
Influence of radiation defects on tritium release parameters from Li2O
1998
Abstract The study of the influence of radiation defects on tritium release behavior from polycrystalline Li2O was performed by simultaneous measurements of the luminescence emission and tritium release. It was found that the radiation defects in Li2O introduced by electron irradiation cause the retention of tritium. It is thought that the tritium recovery is affected by the formation of a Li–T bond, which is tolerant of high temperatures. The retardation of tritium decreases with increasing absorbed dose in the dose range from 50 to 140 MGy. The aggregation of radiation defects at high irradiation doses is considered to be responsible for the decrease of the interaction of tritium with rad…
Dependence of the emission properties of the germanium lone pair center on Ge doping of silica
2011
We present an experimental investigation regarding the changes induced by the Ge doping level on the emission profile of the germanium lone pair center (GLPC) in Ge doped silica. The investigated samples have been produced by the sol-gel method and by plasma-activated chemical vapor deposition and have doping levels up to 20% by weight. The recorded photoluminescence spectra show that the GLPC emission profile is the same when the Ge content is lower than ∼ 1% by weight, whereas it changes for higher doping levels. We have also performed Raman scattering measurements that show the decrease of the D1 Raman band at 490 cm( - 1) when the Ge content is higher than 1% by weight. The data suggest…