• 제목/요약/키워드: X-ray crystal diffraction

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편백(Chamaecyparis obtusa E.) 수간내에서의 결정상태의 변이성 (Variation of Crystalline State in a Stem of Chamaecyparis obtusa E.)

  • 김남훈;이기영
    • Journal of the Korean Wood Science and Technology
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    • 제26권4호
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    • pp.20-25
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    • 1998
  • Radial variation of crystalline state in a stem of Chamaecyparis obtusa E. was examined by x-ray diffraction analyses. Relative crystallinity and degree of crystallite orientation showed significant differences between juvenile and adult wood. That is, Relative crystallinity increased with increasing the age from pith to about 20th annual ring, after which it reached a more or less constant value. On the other hand, degree of crystallite orientation decreased outward from pith to about 10 years and presented almost a constant value thereafter. Crystal width by Scherrer's equation did not show any significant differences between juvenile and adult wood. Therefore, it was considered that crystallinity index and degree of crystallite orientation by x-ray diffraction method could be used for evaluating wood quality.

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The Structure Determination of La2/3-xLi3x1/3-2xTiO3 by the Powder Neutron and X-ray Diffraction

  • Kang, Eun-Tae;Kwon, Young-Jean
    • 한국세라믹학회지
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    • 제40권6호
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    • pp.513-518
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    • 2003
  • La/sub 2/3-x/Li/sub 3x/□/sub 1/3-2x/TiO₃ compounds with x=0.13 and 0.12 were prepared by slow cooling (x=0.13) and rapid quenching (x=0.12) into the liquid nitrogen after sintering at 1350℃ for 6 h. Their crystal structure has been determined by Rietveld refinement of both the powder neutron and X-ray diffraction data. From neutron diffraction data, we found that the main phase was not tetragonal (P4/mmm), but trigonal (R3cH). The refinement of neutron diffraction for the slow cooled samples were in a good agreement with a new model; a mixture of trigonal (R3cH, 45.7 wt%), tetragonal (p4/mmm, 37.0 wt%), and Li/sub 0.57/Ti/sub 0.86/O₂(pbnm, 17.2 wt%), but the quenched sample was found not to contain tetragonal (p4/mmm). X-ray diffraction data couldn't be well fitted because of the Poor scattering factor of lithium ions and the similar reflection patterns among trigonal (R3cH), tetragonal (p4/mmm), and cubic (Pm3m). We also knew that one transport bottlenecks is destroyed by one La vacancy in the case of trigonal (R3cH).

X-線 廻折法을 利用한 벤지딘過鹽素酸鹽의 結晶構造에 關한 硏究 (II)結晶構造의 解析 (Studies on the Crystal Structure of Benzidine Perchlorate by X-ray Diffraction method (II) Crystal Structure Analysis)

  • 구정회;신현소;강만형
    • 대한화학회지
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    • 제14권1호
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    • pp.123-126
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    • 1970
  • The approximate crystal structure of benzidine monoperchlorate has been determined by single crystal X-Ray diffraction technique and patterson method. As the molecule has a center of symmetry in it and location of perchlorate ion is symmetrically on the mirror plane in the unit cell, perchlorate ion is forming hydrogen bond with two -$NH_2$ groups in the different molecule. Thus, one molecule of benzidine and perchloric acid combines 1:1 by mole ratio.

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The Crystal Structure of Fenbufen, 3-(4-biphenylylcarbonyl)propionic acid ($C_{16}H_{14}O_3$), A Non-steroidal Antiinflammatory Agent

  • Kim, Yang-Bae;Park, Il-Yeong;Park, Yang-Hwan
    • Archives of Pharmacal Research
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    • 제11권2호
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    • pp.127-133
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    • 1988
  • The crystal structure of fenbufen was determined by X-ray diffraction techniuques. The compound was recrystallized in orthorhombic crystal system, space group $Pca2_1$ a = 31. 918(10), b = 5.550 (2), c = 15.078 (9) ${\AA}, D_m$= $1.26, {\D_x$= 1.264 g/$\textrm{cm}^3$, and Z = 8. The structure was solved by direct methods and refined by least squares procedure to the final R value of 0.051 for 1780 independent reflections. Two molecules in the asymmetric unit are related by a pseudo center of symmetry and dimerized via O-H...O hydrogen bonds. The carbonyl group attached to the phenyl ring is nearly coplanar to the ring. In the crystal the molecules are arranged in paralle stacks in the a direction.

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Hot Wall Epitaxy(HWE)법에 의한 $AgGaSe_2$ 단결정 박막 성장과 특성 (Growth and Study on Photo current of Valence Band Splitting for $AgGaSe_2$ single crystal thin film by hot wall epitaxy)

  • 박창선;홍광준
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2006년도 추계학술대회 논문집 Vol.19
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    • pp.85-86
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    • 2006
  • Single crystal $AgGaSe_2$ layers were grown on thoroughly etched semi-insulating GaAs(100) substrate at $420^{\circ}C$ with hot wall epitaxy (HWE) system by evaporating $AgGaSe_2$ source at $630^{\circ}C$. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The temperature dependence of the energy band gap of the $AgGaSe_2$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)=19501 eV-(879{\times}10^{-4} eV/K)T^2/(T+250 K)$.

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X-선 회절을 이용한 피로하중을 받는 일반구조용강의 잔류응력에 관한 연구 (A Study on Residual Stress for Fatigue Fracture Surface in General Purpose Structural Steel using X-ray Diffraction)

  • 조석수;장득열;주원식
    • 한국자동차공학회논문집
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    • 제7권8호
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    • pp.248-261
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    • 1999
  • The fatigue life of mechanical components and structures has been influenced by mechanical, material and environmental conditions. It is important to search out the load type and size for accurate cause of fracture at the damaged surface of material. The fractographic method by x-ray diffraction can utilize residual stress $\sigma$_r and half-value breadth B and find out the types and the mechanical conditions of fracture. This study showed the relationship between fracture mechanical parameters $\Delta$K, $K_{max}$ and X-ray residual stress $\sigma$_r for normalized SS41 steel with homogeneous crystal structure and M.E.F. dual phase steel(martensite encapsulated islands of ferrite). The fatigue crack propagation tests were carried out under stress ratios 0.1 and 0.5. The x-ray diffraction technique according to crack propatation direction was applied to fatigue fractured surface. Residual stress $\sigma$_r was independent on stress ratios by arrangement of $\Delta$K. The equation of $\sigma$_r$\Delta$K was established by the experimental data. Therefore, fracture mechanical parameters can be estimated can be estimated by the measurement of X-ray parameters.

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KAlSiO4의 단결정 합성 및 동질 다상 (Synthesis of Single Crystal and Polymorphism of KAlSiO4)

  • 박병규;정수진
    • 한국세라믹학회지
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    • 제25권1호
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    • pp.73-77
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    • 1988
  • Single crystals of kalsilite were synthesized by hydrothermal method at 420$^{\circ}C$-480$^{\circ}C$ and 100 atm-1500 atm. The crystal habits are similar to those of KLiSiO4 single crystals. The crystal structure was investigated by means of X-ray single crystal diffraction. The space group of kalsilite is P63. Phase transitiions were determined by use of DTA and high temperature X-ray Guinier camera. Phase transitions of kalsilite are summerized and discussed.

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데칸술폰이 삽입된 니켈 화합물의 층상 구조의 열적 성질 (Thermal behavior of the layered structure of decanesulfonate intercalated into the hydrated nickel compound)

  • 허영덕;전태현;박용준
    • 한국결정성장학회지
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    • 제9권6호
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    • pp.580-584
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    • 1999
  • 수화된 니켈에 데칸술폰이 층간 삽입된 화합물을 합성한 후 성질을 확인하였다. 화합물의 층상구조는 고온 X-선 회절 데이터로 확인하였다. 온도가 증가하면 층간 삽입된 니켈화합물의 구조가 변하는 것과 동시에 화합물의 층 거리가 24.7 $\AA$에서 30.5 $\AA$가지 증가하였다. X-선 회절 데이터와 데칸술폰의 크기로부터 니켈 층에 결합된 데칸술폰의 공간배열을 결정하였다. 이중 층 구조를 가진 데칸술폰의 분자 축은 니켈 층에 경사진 각도로 수직하게 배열되어있다.

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FT-IR and X-Ray Diffraction Characterization of Melanoidins Formed from Glucose and Fructose with Amino Acid Enantiomers in the Maillard Reaction

  • Kim, Ji-Sang;Lee, Young-Soon
    • Food Science and Biotechnology
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    • 제18권2호
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    • pp.546-551
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    • 2009
  • The objective of this study was to investigate Fourier transform infrared (FT-IR) spectrometry and the X-ray diffraction (XRD) characterization of melanoidins formed from glucose and fructose with amino acid enantiomers in the Maillard reaction. Before dialysis, FT-IR spectroscopy of all the samples showed that the characteristic absorption intensities appeared as a broad and intense band of the stretching vibration of the -OH group at 3,400/cm for a high pH. The absorption bands of the melanoidins sharply decreased in intensity after dialysis as compared to those before dialysis. In particular, the absorption bands at 992 and 575/cm disappeared. The XRD confirmed that the crystal structure of the melanoidins disappeared after dialysis and a new crystal structure was formed at 9 and $28^{\circ}$ ($2{\theta}$. In particular, broad diffraction peaks were formed in the $10-21^{\circ}$ ($2{\theta}$) range for a high pH, while other sharp diffraction peaks disappeared.

Crystal Structure Analysis of 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile

  • Malathy, P.;Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • 통합자연과학논문집
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    • 제8권4호
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    • pp.250-257
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    • 2015
  • The crystal structure of the potential active 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile ($C_{19}H_{16}N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=6.6869 (8) ${\AA}$, b=15.8326 (19) ${\AA}$ and c= 15.237 (2) ${\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=100.663^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...N and C-H...O hydrogen bond interaction.