• Title/Summary/Keyword: X-ray crystal diffraction

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Survey on ultrafast time resolved X-ray diffraction measurements of crystal structure (X선의 초고속 결정구조 측정법)

  • Koo, Y.D.;Kim, Y.C.;Oh, C.S.
    • Journal of Energy Engineering
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    • v.23 no.3
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    • pp.13-16
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    • 2014
  • We have surveyed on significant progress in recent developments of accelerator-based pulsed X-ray sources has offered the opportunity for time-resolved studies on fast structure dynamics on the nanometer scale. The required and currently available techniques for time resolved X-ray diffraction measurements using the third-generation synchrotron radiation sources are summarized. Ultrafast X-ray experimental techniques are discussed for femtosecond studies at future synchrotron radiation sources.

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, $LiND_{3.05}H_{0.95}SO_4$.

X-Ray Diffraction Patterns and Acid Consuming Capacity of Aluminum Hydroxide Gel. (수산화알루미늄.겔의 X선회절상과 제산도)

  • 조문혜
    • YAKHAK HOEJI
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    • v.8 no.2
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    • pp.37-44
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    • 1964
  • The relationships involving acid-consuming capacity and X-ray powder diffraction patterns of aluminum hydroxide gel were studied. The aging of antacid efficacy of aluminum hydroxide gel has also been characterized by using X-ray powder diffraction. The acid-consuming capacity decreased with progress of crystallization from amorphous alumino gel, and it was found that aged product at 80.deg. C had crystal structure of bohmite (.alpha.-Al.sub 2/O$_{2}$(OH)$_{2}$). It was also noted that the rate of aging decreased with decreasing pH of aluminum hydroxide gel.

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Crystal Growth of Polycrystalline Silicon by Directional Solidification (일방향 응고법에 의한 단결정 Si의 결정성장에 관한 연구)

  • 김계수;이창원;홍준표
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.3 no.2
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    • pp.149-156
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    • 1993
  • Polycrystalline silicon was produced from metallurgical-grade Si by unidirectional solidification. Variations of impurity concentration and resistivity in the ingots have been investigated. X-ray diffraction analysis has also been performed to examine the crystal orientation. According to the X-ray diffraction analysis on the polycrystalline silicon, preferential orientation was changed from ( 220) into ( III ) with decreasing growth rate. Also, with increasing growth rate and fraction solidified, the resistivity tends to decrease.

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A Study on the Measurement of Residual Stress in Rolled Steel for Automobile using X-ray Diffraction (X선 회절을 이용한 자동차 압연강의 잔류응력 측정에 관한 연구)

  • 홍순혁;이동우;조석수;주원식
    • Transactions of the Korean Society of Automotive Engineers
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    • v.10 no.6
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    • pp.150-157
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    • 2002
  • In textured material, diffraction angle $2{\theta}$ usually shows a nonlinear relation against $sin^2{\psi}$ due to elastic anisotropy of crystals. SPHD and SPCD steel is cold-rolled carbon steel for automobile. The characteristics X-ray for stress measurement is Cr $K_{\alpha}\;and\;Mo\;K_{\alpha}$ characteristic X-ray. The $2{\theta}-sin^2{\psi}$ diagram under elastic strain seems to have a linear behavior using regression line of data but has a nonlinear behavior in distribution of data by Cr $K_{\alpha}$ characteristic X-ray. As the plastic strain of specimen increases, the nonlinearity of $2{\theta}$ with respect to $sin^2{\psi}$ increases remarkably. On the other hand, the diffraction angle $2{\theta}$ by Mo $K_{\alpha}$ characteristic X-ray shows a good linearity on $2{\theta}-sin^2{\psi}$ diagram under plastic strain as well as elastic strain. Therefore, this paper presents the measurement of residual stress in cold-rolled carbon steel for automobile using penetration depth of Mo $K_{\alpha1}$ characteristic X-ray and multiplicity factor of crystal diffraction plane.

X-Ray Diffraction Analysis of Various Calcium Silicate-Based Materials

  • An, So-Youn;Lee, Myung-Jin;Shim, Youn-Soo
    • Journal of dental hygiene science
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    • v.22 no.3
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    • pp.191-198
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    • 2022
  • Background: The purpose of this study was to evaluate the composition of the crystal phases of various calcium silicate-based materials (CSMs): ProRoot white MTA (mineral trioxide aggregate) (WMTA), Ortho MTA (OM), Endocem MTA (EM), Retro MTA (RM), Endocem Zr (EN-Z), BiodentineTM (BD), EZ-sealTM (EZ), and OrthoMTA III (OM3). Methods: In a sample holder, 5 g of the powder sample was placed and the top surface of the material was packed flat using a sterilized glass slide. The prepared slides were mounted on an X-ray diffraction (XRD) instrument (D8 Advance; Bruker AXS GmbH, Germany). The X-ray beam 2θ angle range was set at 10~90° and scanned at 1.2° per minute. The Cu X-ray source set to operate at 40 kV and 40 mA in the continuous mode. The peaks in the diffraction pattern of each sample were analyzed using the software Diffrac (version 2.1). Then, the peaks were compared and matched with those of standard materials in the corresponding Powder Diffraction File (PDF-2, JCPDS International Center for Diffraction Data). A powder samples of the materials were analyzed using XRD and the peaks in diffraction pattern were compared to the Powder Diffraction File data. Results: Eight CSMs showed a similar diffraction pattern because their main component was calcium silicate. Eight CSMs showed similar diffraction peaks because calcium silicate was their main component. Two components were observed to have been added as radiopacifiers: bismuth oxide was detected in WMTA, OM, and EM while zirconium oxide was detected in RM, EN-Z, BD, EZ, and OM3. Unusual patterns were detected for the new material, OM3, which had strong peaks at low angles. Conclusion: It was caused by the presence of Brushite, which is believed to have resulted in crystal growth in a particular direction for a specific purpose.

Crystal Structure Analysis of 6-Ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[4,3-c][1,2]oxazole-3a(4H)-carbonitrile

  • Malathy, P.;Sharmila, P.;Srinivasan, J.;Manickam, Bakthadoss;Aravindhan, S.
    • Journal of Integrative Natural Science
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    • v.9 no.2
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    • pp.94-102
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    • 2016
  • The crystal structure of the potential active 6-ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[4,3-c][1,2]oxazole-3a(4H)-carbonitrile ($C_{19}H_{15}N_2O_3$) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a= 29.3026(9) ${\AA}$, b= 6.7695(2) ${\AA}$ and c= 19.7597(6) ${\AA}$ [${\alpha}= 90^{\circ}$, ${\beta}= 125.709(10)^{\circ}$ and ${\gamma}= 90^{\circ}$]. Single crystals suitable for X-ray diffraction were obtained by slow evaporation method, the isoxazole and six membered pyran rings adopts envelope conformation. The crystal packing of the molecules is stabilized by the weak $C-H{\ldots}N$ hydrogen bond interaction.

Crystal Structure Analysis of Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3H-chromen [4,3-c][1,2] isoxazole-3a(4H)-carboxylate

  • Malathy, P.;Sharmila, P.;Srinivasan, J.;Manickam, Bakthadoss;Aravindhan, S.
    • Journal of Integrative Natural Science
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    • v.9 no.2
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    • pp.103-112
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    • 2016
  • The crystal structure of the potential active Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3H-chromen [4,3-c][1,2] isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}BrNO_4$) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the triclinic space group Pī with unit cell dimension a=8.3129 (3) ${\AA}$, b=9.5847 (4) ${\AA}$ and c=11.1463(4) ${\AA}$ [${\alpha}=98.457(3)^{\circ}$, ${\beta}=102.806(2)^{\circ}$ and ${\gamma}=105.033(5)^{\circ}$]. Single crystals suitable for X-ray diffraction were obtained by slow evaporation method, the isoxazole and six membered pyran rings adopts envelope conformation. In the crystal, molecules are linked via pairs of inter molecular $C-H{\ldots}O$ hydrogen bonds to form dimmers.

Relation of X-ray diffraction and charge/discharge capacity Of LiMn$_2$O$_4$ cathode for Lithium ion batteries (리튬 이온 전지용 LiMn$_2$O$_4$ 정극의 X-선 회절 분석과 충방전 용량과의 관계)

  • 정인성;구할본
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1998.06a
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    • pp.347-350
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    • 1998
  • We studied relation of X-ray diffraction and charge/discharge capacity of LiMn$_2$O$_4$ cathode. LiMn$_2$O$_4$ is prepared by reacting stoichiometric mixture of LiOH.$H_2O$ and MnO$_2$ (mole ratio 1 : 2) and heating at $700^{\circ}C$, 80$0^{\circ}C$ for 24hr, 36hr, 48hr, 60hr and 72hr. Through X-ray diffraction pattern, it is analyzed that crystal structure and lattice parameter and peak ratio so on. We obtained X-ray diffraction pattern that varied lattice parameter and peak intensity by function of calcining temperature and time. Cathode active materials calcined at 80$0^{\circ}C$ for 36hr shown that (111)/(311) Peak ratio at X-ray diffraction pattern was 0.37. It means that crystal structure is formed very well in this temperature and time. In the result of charge/discharge test, cathode active material calcined at 80$0^{\circ}C$ for 36hr displayed excellent charge/discharge properties than that of cathode active materials calcined at other temperature and title. In this study, we certified that spinel structure basied cubic is formed very well at 80$0^{\circ}C$ for 36hr. In this case, (111)/(311) peak ratio at X-ray diffraction is 0.37, and charge/discharge properties is excellent than others.

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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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