• Title/Summary/Keyword: X-ray spectroscopy

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Ab-initio Calculations of Mg Silicate and (hydr)oxide Core-level Absorption Spectra (Mg 규산염 및 (수)산화물에 대한 제일원리 내각준위 흡수 스펙트럼 계산 연구)

  • Son, Sangbo;Kwon, Kideok D.
    • Korean Journal of Mineralogy and Petrology
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    • v.34 no.2
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    • pp.121-131
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    • 2021
  • Magnesium (Mg) present in carbonate minerals as impurities has been used as a geochemical proxy to infer the environmental conditions where the minerals precipitated. The reliability of Mg geochemical proxies requires fundamental understanding of Mg incorporation into minerals based on accurate speciation of Mg 2+ in the crystal structure, which is determined mainly by application of X-ray absorption spectroscopy (XAS). However, high uncertainties are involved in interpreting the XAS spectra of minerals containing trace amount of Mg 2+. Because density function theory (DFT) can predict an XAS spectrum for a crystal structure, DFT calculations can reduce the uncertainties in the interpretation of the XAS spectrum. In this study, we calculated ab initio Mg K-edge absorption spectra of Mg silicates and (hydr)oxides based on DFT and analyzed the correlation between the calculated spectra and Mg structural parameters. Our ab initio Mg K-edge absorption spectra well reproduced the key features of the experimental spectra. The absorption-edge positions of the calculated spectra showed the weak positive correlation with the average Mg-O bond distance or Mg effective coordination number. The current study shows that DFT-based core-level spectroscopy method is a powerful tool in providing standard Mg K-edge spectra of diverse Mg minerals and determining the Mg chemical species within carbonate minerals.

Surface Characteristics of Hydroxyapatite Coated Surface on Nano/Micro Pore Structured Ti-35Ta-xNb Alloys

  • Jo, Chae-Ik;Choe, Han-Choel
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2014.11a
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    • pp.185-185
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    • 2014
  • In this study, we investigated surface characteristics of hydroxyapatite coated surface on nano/micro pore structured Ti-35Ta-xNb alloys. This paper was focus on morphology and corrosion resistance of Anodic oxidation. To prepare the samples, Ti-35Ta-xNb (x= 0, 10 wt. %) alloys were manufactured by arc melting and heat-treated for 12 h at $1050^{\circ}C$ in Ar atmosphere at $0^{\circ}C$ water quenching. Micro-pore structured surface was performed using anodization with a DC power supply at 280 V for 3 min, nanotube formed on Ti-35Ta-xNb alloys was performed using DC power supply at 30 V in 60 min at room temperature. Surface morphology and structure were examined by field-emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffraction.

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CORROSION BEHAVIOR OF NI-BASE ALLOYS IN SUPERCRITICAL WATER

  • Zhang, Qiang;Tang, Rui;Li, Cong;Luo, Xin;Long, Chongsheng;Yin, Kaiju
    • Nuclear Engineering and Technology
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    • v.41 no.1
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    • pp.107-112
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    • 2009
  • Corrosion of nickel-base alloys (Hastelloy C-276, Inconel 625, and Inconel X-750) in $500^{\circ}C$, 25MPa supercritical water (with 10 wppb oxygen) was investigated to evaluate the suitability of these alloys for use in supercritical water reactors. Oxide scales formed on the samples were characterized by gravimetry, scanning electron microscopy/energy dispersive spectroscopy, X-ray diffraction, and X-ray photoelectron spectroscopy. The results indicate that, during the 1000h exposure, a dense spinel oxide layer, mainly consisting of a fine Cr-rich inner layer ($NiCr_{2}O_{4}$) underneath a coarse Fe-rich outer layer ($NiFe_{2}O_{4}$), developed on each alloy. Besides general corrosion, nodular corrosion occurred on alloy 625 possibly resulting from local attack of ${\gamma}$" clusters in the matrix. The mass gains for all alloys were small, while alloy X -750 exhibited the highest oxidation rate, probably due to the absence of Mo.

Synthesis of barium-doped PVC/Bi2WO6 composites for X-ray radiation shielding

  • Gholamzadeh, Leila;Sharghi, Hamed;Aminian, Mohsen Khajeh
    • Nuclear Engineering and Technology
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    • v.54 no.1
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    • pp.318-325
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    • 2022
  • In this study, composites containing undoped and barium-doped Bi2WO6:Ba2+were investigated for their shielding against diagnostic X-ray. At first, Bi2WO6 and barium-doped Bi2WO6 were synthesized with different weight percentages of barium oxide through a hydrothermal process. The as-synthesized nanostructures were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS) and Raman spectroscopy (RS). After that, some shields were generated with undoped and barium-doped Bi2WO6:Ba2+ nanostructure particles incorporated into polyvinyl chloride (PVC) polymer with different thicknesses and 15% weight of the nanostructure. Finally, the prepared samples were exposed to an X-ray tube at 40, 80, and 120 kV voltages, 10 mAs and, 44.5 cm SID (i.e. the distance from the X-ray beam source to the specimen). Linear and mass attenuation coefficients were also calculated for different samples. The results indicated that, among the samples, the one with 7.5 mmol barium-doped Bi2WO6 had the most attenuation at the voltage of 40kV, and the attenuation coefficients would increase with an increase in the amount of barium. The samples with 15 and 17.5 mmol barium-doped Bi2WO6 had higher attenuation than the others at 80 and 120 kV. Moreover, the half-value layer (HVL), tenth-value layer (TVL) and 0.25 mm lead equivalent thickness were calculated for all the samples. The lowest HVL value was for the sample with 7.5 mmol barium-doped Bi2WO6. As the result clearly show, an increment in the barium-doping content leads to a decrease in both HVL and TVL. In every three voltages, 0.25 mm lead equivalent thickness of the barium-doped composites (7.5 mmol and 15 mmol) had less than the other composites. The lowest value of 0.25 mm lead equivalent thickness was 7.5 barium-doped in 40 kV voltage and 15 mmol barium-doped in 80 kV and 120 kV voltages. These results were obtained only for 15% weight of the nanostructure.

Effect of electrolyte composition on Cu thin film by electroplating (전해액 조성이 전기도금으로 제작된 구리박막의 특성에 미치는 영향)

  • Song, Yoo-Jin;Seo, Jung-Hye;Lee, Youn-Seoung;Yeom, Kee-Soo;Ryu, Young-Ho;Hong, Ki-Min
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2008.10a
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    • pp.95-99
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    • 2008
  • Cu has been used for metallic interconnects in ULSI applications because of its lower resistivity according to the scaling down of semiconductor devices. The resistivity of Cu lines will affect the RC delay and will limit signal propagation in integrated circuits. We investigated the electrolyte effects of the electroplating solution in the resistivity value of Cu films grown by electroplating deposition (EPD). The resistivity was measured with a four-point probe and the material properties were investigated with XRD (X-ray Diffraction), AFM (Atomic Force Microscope), FE-SEM (Field Emission Scanning Electron Microscope) and XPS (X-ray Photoelectron Spectroscopy). From these experimental results, we found that the electrolyte condition plays an Important role in formation of Cu film with lower resistivity by EPD.

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