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

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Correction Method of the Hydrogen Bond-Distance from X-ray Diffraction: Use of Neutron Data and Bond Valence Method (X-선 회절로 얻은 수소결합의 결합거리 보정 방법: 중성자 회절결과와 결합원자가 방법 이용)

    • Journal of the Mineralogical Society of Korea
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    • v.16 no.1
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    • pp.65-73
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    • 2003
  • In this study we have derived the two correction methods of hydrogen bonding distance. In case of the intermediate or long hydrogen bond(>2.5 $\AA$), hydrogen bonding distances can be corrected by using the function d(O-H)=exp((2.173-d(O…O))/0.138)+0.958 obtained by least- squares fit to the data from the neutron diffraction at low temperatures. The valence-least-squares method is effective for the distance correction of very short hydrogen bond(<2.5 $\AA$). The distance correction is necessary for the long intermolecular hydrogen bond obtained from X-ray diffraction analysis.

Synchrotron X-ray Powder Diffraction Study of CFC-13 Loaded Zeolite LSX (제올라이트 LSX에서의 CFC-13 분자체 흡착에 관한 결정학적 연구)

  • Lee, Yong-Jae;Lee, Jong-Won;Yoon, Ji-Ho
    • Journal of the Mineralogical Society of Korea
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    • v.21 no.3
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    • pp.307-312
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    • 2008
  • Rietveld analysis using synchrotron X-ray powder diffraction data collected at 15 K reveals that CFC-13 ($CF_{3}Cl;$ chlorotrifluoromethane) sorbed on Na,K-LSX binds through fluorine to sodium ions around the single 6-ring aperture in the supcrgage.

X-ray diffraction analysis of ZnS/ZnSe superlattices prepared by hot wall epitaxy (열벽적층성장에 의하여 제작된 ZnS/ZnSe 초격자의 X-선 회절분석)

  • Yong Dae Choi;A. Ishida;Fujiyasu, H.
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.6 no.3
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    • pp.377-385
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    • 1996
  • ZnS/ZnSe superlattices were prepared on GaAs (100) substrates by hot wall epitaxy, an the structures were analyzed using x-ray diffraction. It is shown that the x-ray diffraction of the strained superlattice gives very useful information about the thickness of each layer, strain, interdiffusion, and the fluctuation of the superlattice period. Interdiffusion length of the S and Se is estimated to be less than $2\;{\AA}$.

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Analysis on the Fatigue Fracture Surface of Gas Piping Material using the X-Ray Fractography (X-선 프랙토그라피에 의한 가스배관재의 피로파면해석)

  • Lim, Man-Bae
    • Journal of the Korean Society of Safety
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    • v.17 no.1
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    • pp.18-24
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    • 2002
  • This study verified the relationship between fracture mechanics parameters(${\Delta}K,\;K_{max}$) and X-ray parameters ($(\sigma}_r,;B$) for G365 steel at elevated temperature up to $300{\circ}C$. The fatigue crack propagation test were carried out and X-ray diffraction technique according to crack length direction was applied to fatigue fractured surface. The residual stress on the fracture surface was found to increase in low ${\Delta}K$ region, reach to a maximum value at a certain value of $K_{max}$ or ${\Delta}K$ and then decrease. Residual stress was independent on stress ratio by arrangement of ${\Delta}K$ and half value breadth was independent by the arrangement of $K_{max}$. The equation of ${\sigma}_r-{\Delta}K$ was established by the experimental data. Therefore, fracture mechanics parameters could be estimated by the measurement of X-ray parameters.

A Study on the X-ray Diffraction Analysis and the Fatigue Crack Growth Behavior for the Gas Piping Material (가스배관재의 X-선 회절분석과 피로균열거동에 관한 연구)

  • 임만배;윤한기;박원조
    • Journal of Ocean Engineering and Technology
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    • v.16 no.3
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    • pp.54-58
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    • 2002
  • This study investigates a relationship between fracture mechanics parameters (Stress Intensity Factor Range: ΔK, Maximum Stress Intensity Factor; Kmax) and X-ray parameters (residual stress:$\sigma$r half-value breadth: B) for SG365 steel at elevated temperature up to 30$0^{\circ}C$. The fatigue crack propagation test were carried out and X-ray diffraction technique according to the direction of crack length was applied to fatigue fractured surface. The residual stress on the fracture surface was found to increase at low ΔK region, to reach a maximum value at a certain value of Kmax or ΔK and then to decrease. Residual stress was independent of stress ratio by arrangement of ΔK and half value breadth were independent of the arrangement of Kmax. The equation of $\sigma$r-ΔK was established by the experimental data. therefore, fracture mechanics parameters could be estimated by the measurement of X-ray parameters.

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.

Mineral Composition Properties of Collapsed Cut Slope (붕괴절토사면의 광물조성 특성)

  • Kim, Jin-Hwan;Koo, Ho-Bon;Park, Mi-Sun;Baek, Young-Sik
    • Proceedings of the Korean Geotechical Society Conference
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    • 2005.03a
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    • pp.731-734
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    • 2005
  • Cut slopes are collapsed in Korea every year. Cut slope collapses cause a loss of lives and assets. Many researchers make clear collapse factor of cut lope. Fresh rock weathered through reaction undergroundwater and groundwater. During weathering process, weathered minerals are created. Weathered minerals are analysed by X-ray diffraction meter. X-ray diffraction meter make possible quantity assessment of degree of weathering and indicator of potential collapse possibilities. This paper discuss possibilities of cut slope dangerous with analysis of weathered minerals of cut slope.

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Crystal structure analysis of orthohombic $Sr_{0.6}Ca_{0.4}CuO_2$ compound (사방정계 $Sr_{0.6}Ca_{0.4}CuO_2$ 화합물의 결정구조해석)

  • Park, H.M.;Goetz, D.;Hahn, Th.
    • Korean Journal of Crystallography
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    • v.7 no.1
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    • pp.20-29
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    • 1996
  • Sr0.6Ca0.4CuO2 single crystal has been synthesized by flux method and characterized by the single crystal X-ray diffraction. The compound has the orthorhombic system and the space group is Cmcm(63), lattice parameters are a=3.4645Å, b=16.1417Å, c=3.8727Å. In the (Sr1-xCax)CuO2 compound the limit of Ca from substitution for Sr was determined by the change of bond length. For this, X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray fluorescence (EDAX) and electron probe micro-analysis (EPMA) were used. From the change of Cu-O bond length as the Ca substitution, we concluded the limit of Ca incorporation Xca≒0.73.

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Analysis of Rolling Contact Fatigue of Ball Bearing with Various Hardness by X-ray Diffraction (BEARING소재 경도에 따른 구름접촉피로의 X선적 해석)

  • 이한영
    • Tribology and Lubricants
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    • v.17 no.3
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    • pp.209-215
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    • 2001
  • In view of the effects of the hardness of material on fatigue, rolling contact fatigue process in hard metals seems to differ from it in soft metals. This paper has been aimed to compare the rolling contact fatigue process according to the hardness of materials. Rolling contact fatigue tests using the ball bearings assembled with the inner race of four different hardness have been carried out. In addition, residual stress and half-value breadth on/below the inner raceway during individual rolling contact fatigue have been measured by X-ray diffraction. The results of this study showed that the change of residual stress and half-value breadth during the rolling contact fatigue on race way in hard metals is the same as in soft metals. However, plastic deformation by rolling contact in hard metals is in microscopic scale but only for soft metals in macroscopic scale.

Crystal Structure Analysis of $LiN(D_xH_{1-x}){_4}SO_4$ by X-ray and Neutron Diffraction (X-선과 중성자 회절을 이용한 강유전체 단결정 $LiN(D_xH_{1-x}){_4}SO_4$의 결정구조 연구)

  • Kim, Shin-Ae;Kim, Seong-Hoon;So, Ji-Yong;Lee, Jeong-Soo;Lee, Chana-Hee
    • Journal of the Mineralogical Society of Korea
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    • v.20 no.4
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    • pp.351-356
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    • 2007
  • The crystal structure of $Li(ND_4)SO_4$ was analyzed by X-ray and neutron diffraction methods. The crystal is a deuterated $Li(NH_4)SO_4$ and one of the ferroelectric materials with hydrogen atoms. The crystal is orthorhombic at room temperature, $P2_1nb$, with lattice parameters of $a=5.2773(5)\;{\AA},\;b=9.1244(23)\;{\AA},\;c=8.7719(11)\;{\AA}$ and Z=4. Neutron intensity data were collected on the Four-Circle diffractometer (FCD) at HANARO in Korea Atomic Energy Research Institute and X-ray date were given by Prof. Y. Noda of Tohoku University Japan. The structure was refined by full-matrix least-square to final R value of 0.070 for 1450 observed reflections by X-ray diffraction and to final R=0.049 for 745 observed reflections by neutron diffraction. With X-ray data we obtained only one hydrogen atomic position. However, not only all atomic positions of four hydrogen atoms at $NH_4$ but also the occupation factors of D and H were refined with neutron data. From this results we obtained the average chemical structure of this sample, $LiND_{3.05}H_{0.95}SO_4$.