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    Raman imaging to study structural and chemical features of the dentin enamel junction
    (London [u.a.] : Institute of Physics, 2015) Alebrahim, M.A.; Krafft, C.; Popp, J.; El-Khateeb, Mohammad Y.
    The structure and chemical features of the human dentin enamel junction (DEJ) were characterized using Raman spectroscopic imaging. Slices were prepared from 10 German, and 10 Turkish teeth. Raman images were collected at 785 nm excitation and the average Raman spectra were calculated for analysis. Univariate and multivariate spectral analysis were applied for investigation. Raman images were obtained based on the intensity ratios of CH at 1450 cm-1 (matrix) to phosphate at 960 cm-1 (mineral), and carbonate to phosphate (1070/960) ratios. Different algorithms (HCA, K-means cluster and VCA) also used to study the DEJ. The obtained results showed that the width of DEJ is about 5 pm related to univariate method while it varies from 6 to 12 μm based on multivariate spectral technique. Both spectral analyses showed increasing in carbonate content inside the DEJ compared to the dentin, and the amide I (collagen) peak in dentin spectra is higher than DEJ spectra peak.
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    Structure and superconducting characteristics of magnesium diboride, substitution of boron atoms by oxygen and carbon
    (London [u.a.] : Institute of Physics, 2017) Prikhna, Tetiana; Romaka, Vitaliy; Eisterer, Michael; Shapovalov, Andrii; Kozyrev, Artem; Grechnev, Gennadiy; Boutko, Viktor; Goldacker, Wilfried; Habisreuther, Tobias; Vakaliuk, Oleksii; Halbedel, Bernd
    An x-ray analysis of MgB2-based materials shows that they contain MgB2 and MgO phases. According to a quantitative Auger analysis (taken after removing the oxidized surface layer by Ar ion etching in the microscope chamber) the MgB2 phase contains some amount of oxygen that approximately corresponds to the composition MgB2.2-1.7O0.4-0.6. Rietveld refinement of the MgB2 phase, based on EDX data with varying B/O content, leads to the composition MgB1.68-1.8O0.2-0.32. Ab-initio modelling of boron substitution by oxygen in MgB2 (ΔH f = -150.6 meV/atom) shows that this is energetically favourable up to the composition MgB1.75O0.25 (ΔH f = -191.4 meV/atom). In contrast to carbon substitution, where very small levels of doping can dramatically affect the superconducting characteristics of the material with concomitant changes in the electron density, oxygen substitution results in very little change in the superconducting properties of MgB2. The formation of vacancies at the Mg site of both MgB2 and substituted MgB1.75O0.25 was modelled as well, but has shown that such processes are energetically disadvantageous (ΔHf of Mg0.875B2 and Mg0.75B1.75O0.25 are equal to -45.5 and -93.5 meV/atom, respectively).