• Title/Summary/Keyword: x-ray diffraction method

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Determination of mixing ratios in a mixture via non-negative independent component analysis using XRD spectrum (XRD 스펙트럼의 비음독립성분분석을 통한 혼합물 구성비 결정)

  • You, Hanmin;Jun, Chi-Hyuck;Lee, Hyeseon;Hong, Jae-Hwa
    • Analytical Science and Technology
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    • v.20 no.6
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    • pp.502-507
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    • 2007
  • X-ray diffraction method has been widely used for qualitative and quantitative analysis of a mixture of materials since every crystalline material gives a unique X-ray diffraction pattern independently of others, with the intensity of each pattern proportional to that material's concentration in a mixture. For determination of mixing ratios, extracting source spectra correctly is important and crucial. Based on the source spectra extracted, a regression model with non-negativity constraint is applied for determining mixing ratios. In some mixtures, however, X-ray diffraction spectrum has sharp and narrow peaks, which may result in partial negative source spectrum from independent component analysis. We propose several procedures of extracting non-negative source spectra and determining mixing ratios. The proposed method is validated with experimental data on powder mixtures.

Microstructure and Dielectric Properties of (Ba1-xCax)(Ti0.85Zr0.12Sn0.03)O3 Ceramics ((Ba1-xCax)(Ti0.85Zr0.12Sn0.03)O3계 세라믹스의 미세구조 및 유전 특성)

  • Shin, Sang-Hoon;Yoo, Ju-Hyun;Shin, Dong-Chan
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.27 no.12
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    • pp.797-802
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    • 2014
  • In this study, in order to develop the capacitor composition ceramics with the good dielectric properties, $(Ba_{1-x}Ca_x)(Ti_{0.85}Zr_{0.12}Sn_{0.03})O_3$ (abbreviated as BCTZ) ceramics were prepared by the conventional solid-state reaction method. The effects of Ca substitution on the microstructure and dielectric properties was investigated. The X-ray diffraction patterns demonstrated that all the specimens showed perovskite phase, and secondary phases are indicated in the measurement range of X-ray diffraction. Also, all the specimens indicated an rhombohedron phase structure. It was identified from the X-ray diffraction patterns that the secondary phase formed in grain boundaries and then decreased the dielectric properties. For all the specimens, observed one peak was tetragonal cubic phase transition temperature($T_c$), which is located in the vicinity of room temperature.

Quantitative Interpretation of Cooling Rate of Clinker and It's Effects on the Cement Strength Development (클링커 냉각속도의 정량적 해석 및 냉각속도가 시멘트 강도발현에 미치는 영향고찰)

  • Kim, Chang-Bum;Choi, Sung-Churl
    • Journal of the Korean Ceramic Society
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    • v.44 no.4 s.299
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    • pp.224-229
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    • 2007
  • To evaluate the cooling rate of clinker quantitatively, several clinkers with different cooling rate were made in the laboratory. The X-ray diffraction pattern of Ferrite 002 reflection were measured and the parameters were calculated by using split type pseudo-Voigt function. The X-ray diffraction patterns of the Ferrite phase in the clinkers from cement manufacturing plant were analyzed by using the parameters and the analysis program was developed to calculate the cooling rate quantitatively. The cooling rate coefficients of the clinkers were calculated by using the profile fitting method of the program and the influence of cooling rate on strength was evaluated. The results show that there is a close relation between the cooling rate of clinker and the strength of cement.

Structural and Optical Properties of CdS Thin Films Deposited by R.F. Magnetron Sputtering

  • Hwang, Dong-Hyeon;An, Jeong-Hun;Son, Yeong-Guk
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.149-149
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    • 2011
  • CdS films were deposited on glass substrates by R.F. magnetron sputtering method and the films were annealed at various substrate temperatures ranging from room temperature to $300^{\circ}C$. Structural properties of the films were studied by X-ray diffraction analysis. The structural parameters as crystallite size have been evaluated. The crystallite sizes were found to increase, and the X-ray diffraction patterns were seen to sharpen by increasing substrate temperatures. X-ray diffraction patterns of these films indicated that they contain both cubic (zincblende) and hexagonal (wurtzite) structures as a mixture. Optical properties of the films were measured at room temperature by using UV/VIS spectrometer in the wavelength range of 190 to 1100nm and optical absorption coefficients were calculated using these data. The energy gap of the films was found to decrease, and the band edge sharpness of the optical absorption was seen to oscillate by annealing. The results show that heat treatments under optimal annealing condition can provide significant improvements in the properties of CdS thin films.

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The Synthesis of Maghemite and Hematite Nanospheres

  • Dar, Mushtaq Ahmad;Ansari, Shafeeque G.;Wahab, Rizwan;Kim, Young-Soon;Shin, Hyung-Shik
    • Proceedings of the Korean Powder Metallurgy Institute Conference
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    • 2006.09a
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    • pp.472-473
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    • 2006
  • Maghemite and hematite nanospheres were synthesized by using the Sol-gel technique. The structural properties of these nanosphere powders were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), field emission scanning electron microscopy (FESEM), and pore size distribution. Hematite phase shows crystalline structures. The mean particle size that resulted from BET and XRD analyses were 4.9 nm and 2 nm. It can be seen from transmission electron microscopy that the size of the particles are very small which is in good agreement with the FESEM and the X-ray diffraction. The BET and pore size method were employed for specific surface area determination.

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Structure Study of Polycrystalline $Na_3YSi_3O_9$ and Its Substitutes Related to $Na_4CaSi_3O_9,\;Ca_3Al_2O_6$ Structure

  • Kim, Chy-Hyung;Banks, Ephraim
    • Bulletin of the Korean Chemical Society
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    • v.8 no.1
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    • pp.6-9
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    • 1987
  • The study of the $Na_3YSi_3O_9$ structure, by x-ray diffraction and infrared spectrum, showed that $Na_3YSi_3O_9$ is similar to $Na_4CaSi_3O_9$ except for its being pseudo-cubic instead of cubic. The peaks in the x-ray diffraction pattern of $Na_3YSi_3O_9$ could therefore be indexed on the basis of the $Na_4CaSi_3O_9$ cell. Also, modified $Na_3MSi_3O_9$ (M = Lu, Yb, Tm, Er, Y, Ho, Dy, Gd, Eu, and Sm) type compounds were synthesized by introducing excess sodium, decreasing M(III) concentration, and substituting small amount of phosphorus for silicon. The unit cell parameters of the composition $Na_{3.2}M_{0.7}Si_{2.9}P_{0.1}O_{8.7}$ were estimated from x-ray powder diffraction patterns using the Cohen method.

Structure of Ni and NiO Nanoparticles Observed by X-ray Coherent Diffraction Imaging

  • Kim, Chan;Kim, Yoon-Hee;Hamh, Sun-Young;Son, Jun-Gon;Khakurel, Krishna Prasad;Iqbal, Mazhar;Noh, Do-Young
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.542-543
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    • 2012
  • Coherent diffraction imaging (CDI) method using hard x-ray at 5.46 keV was applied to study assembly of Ni and Ni oxide nano structures formed on a Si3N4 membrane. Density distribution of Ni nano-particles was obtained quantitatively with about 15 nm lateral resolution by reconstructing images from the speckle diffraction pattern. In addition, reconstructed images of nickel oxide particles indicated that Ni atoms diffuse out during the oxidation process leaving pores inside the nickel oxide crust. Furthermore, we recognize that really weak phase object, less than 5 nm thickness of Ni residues, can be reconstructed due to the reference particles. We achieved quantitative information of nanometer sized materials and demonstrate the effect of reference particles by using hard x-ray coherent diffractive imaging method.

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Study on the Orientation of Particles in Tablets (정제내부의 입자배열에 관한 연구)

  • Sohn, Young-Taek
    • Journal of Pharmaceutical Investigation
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    • v.21 no.3
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    • pp.125-132
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    • 1991
  • Using X-ray crystallography powder diffraction, the quantitative representation method of preferred orientation of particles ill tablets was developed. Selected faces of a tablet. the upper surface and faces cut parallel and normal to the upper surface, were presented to an X-ray beam and X-ray diffraction patterns for these faces were measured. The effects of particle size. tableting pressure, and particle form on the preferred orientation were also investigated. It was also recognized that the degree of anisotropy in terms of capping tendency was influenced by the preferred orientation of particles in tablets.

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Synthesis of Ru Incorporated TiO2 and Application to Oxidation of Benzyl Alcohol with Molecular Oxygen (Ru를 도입한 TiO2의 합성과 산소를 이용한 알코올 산화반응 연구)

  • Kim, Youngyeong;Choi, Myong Yong;Kwon, Ki-Young
    • Applied Chemistry for Engineering
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    • v.25 no.6
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    • pp.645-647
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    • 2014
  • We synthesized $TiO_2$ ($Ru_x/TiO_2$) incorporating $TiO_2$ and Ru via an one-step hydrothermal method. The physical properties were characterized by X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDS) and transmission electron microscopy (TEM). The prepared samples were applied as a catalyst for the oxidation of benzyl alcohol to benzaldehyde using molecular oxygen ($O_2$). Especially, the catalytic activities increased as the contents of ruthenium in $TiO_2$ increased without the formation of any byproducts.

A Study on the Failure Mechanism of Turbine Blade using X-Ray Diffraction and FEM (X선 회절과 유한요소법을 이용한 터빈 블레이드의 파괴기구에 관한 연구)

  • Kim, Sung-Woong;Hong, Soon-Hyeok;Jeon, Hyoung-Yong;Cho, Seok-Swoo;Joo, Won-Sik
    • Proceedings of the KSME Conference
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    • 2001.11a
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    • pp.258-265
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    • 2001
  • Turbine blade is subject to force of three type ; torsional force by torsion-mount, centrifugal force by rotation of rotor and cyclic bending force by steam pressure. Cyclic bending force of them is main factor on fatigue fracture. In the X-ray diffraction method, the change in the values related to plastic deformation and residual stress near the fracture surface mat be determined, and information of internal structure of material can be obtained. Therefore, to find a fracture mechanism of torsion-mounted blade in nuclear plant, based on the information from the fracture surface obtained by fatigue test, the correlation of X-ray parameter and fracture mechanics parameter was determined, and then the load applied to actual broken turbine blade parts was predicted. Failure analysis is performed by finite element method and Goodman diagram on torsion-mounted blade.

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