• The Korean Journal of Ceramics
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• 제6권4호
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• pp.385-389
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• 2000

Residual stresses in epitaxial films were measured by X-ray diffraction method. Lattice strains of the (hkl) planes measured along particular Ψ-angles were converted to the in-plane stress according to the equation of stress-strain tensor conversion. Residual tensile stresses were observed in epitaxial PbTiO$_3$ films deposited on (100) SrTiO$_3$ substrate. Tensile stresses approximately 0.9 GPa were measured in Pb-rich films, while it increased to approximately 2.0 GPa with the decreasing of Pb content in the case of Pb-poor films, which ascribed to the formation of lead and oxygen vacancies (expressed as x in Pb$_1-x$TiO$_3-x$).

• 한국재료학회지
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• 제33권2호
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• pp.54-62
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• 2023

The most comprehensive and particularly reliable method for non-destructively measuring the residual stress of the surface layer of metals is the sin²ψ method. When X-rays were used the relationship of ε_φψ-sin²ψ measured on the surface layer of the processing metal did not show linearity when the sin²ψ method was used. In this case, since the effective penetration depth changes according to the changing direction of the incident X-ray, σ_φ becomes a sin²ψ function. Since σ_φ cannot be used as a constant, the relationship in ε_φψ-sin²ψ cannot be linear. Therefore, in this paper, the orthogonal function method according to Warren's diffraction theory and the basic profile of normal distribution were synthesized, and the X-ray diffraction profile was calculated and reviewed when there was a linear strain (stress) gradient on the surface. When there is a strain gradient, the X-ray diffraction profile becomes asymmetric, and as a result, the peak position, the position of half-maximum, and the centroid position show different values. The difference between the peak position and the centroid position appeared more clearly as the strain (stress) gradient became larger, and the basic profile width was smaller. The weighted average strain enables stress analysis when there is a strain (stress) gradient, based on the strain value corresponding to the centroid position of the diffracted X-rays. At the 1/5 I_max max height of X-ray diffraction, the position where the diffracted X-ray is divided into two by drawing a straight line parallel to the background, corresponds approximately to the centroid position.

• Carbon letters
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• 제26권
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• pp.11-17
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• 2018

Milled carbon fiber (mCF) was prepared by a ball milling process, and X-ray diffraction (XRD) diffractograms were obtained by a $2{\theta}$ continuous scanning analysis to study mCF crystallinity as a function of milling time. The raw material for the mCF was polyacrylonitrile-based carbon fiber (T700). As the milling time increased, the mean particle size of the mCF consistently decreased, reaching $1.826{\mu}m$ at a milling time of 18 h. The XRD analysis showed that, as the milling time increased, the fraction of the crystalline carbon decreased, while the fraction of the amorphous carbon increased. The (002) peak became asymmetric before and after milling as the left side of the peak showed an increasingly gentle slope. For analysis, the asymmetric (002) peak was deconvoluted into two peaks, less-developed crystalline carbon (LDCC) and more-developed crystalline carbon. In both peaks, Lc decreased and $d_{002}$ increased, but no significant change was observed after 6 h of milling time. In addition, the fraction of LDCC increased. As the milling continued, the mCF became more amorphous, possibly due to damage to the crystal lattices by the milling.

• Electronic Materials Letters
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• 제14권6호
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• pp.784-792
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• 2018

In this letter, a standard deviation based optimization technique has been applied on High Resolution X-ray Diffraction symmetric and asymmetric scan results to accurately determine the Aluminum molar fraction and lattice relaxation of Molecular Beam Epitaxy grown compositionally graded Aluminum Gallium Nitride (AlGaN)/Aluminum Nitride/Gallium Nitride (GaN) heterostructures. Mathews-Blakeslee critical thickness model has been applied in an alternative way to determine the partially relaxed AlGaN epilayer thicknesses. The coupling coefficient determination has been presented in a different perspective involving sample tilt method by off set between the asymmetric planes of GaN and AlGaN. Sample tilt is further increased to determine mosaic tilt ranging between $0.01^{\circ}$ and $0.1^{\circ}$.

• 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.

• BMB Reports
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• 제30권4호
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• pp.296-298
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• 1997

A bacterial glutathione S-transferase from Pseudomonas sp. DJ77 has been crystallized. The crystals diffract to at least $2.3\;\AA$ resolution, and belong to the orthorhombic space group $P2_{1}2_{1}2_{1}$, with cell parameters $a=97.4\;\AA,\;b=100.3\;\AA$, and $c=46.0\;\AA$. There is one dimer molecule of pGST per crystallographic asymmetric unit. with the crystal volume per protein mass of $2.34\;\AA^3/dalton$ and a solvent content of about 47% (v/v).

• 통합자연과학논문집
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• 제8권3호
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• pp.192-203
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• 2015

In view of the growing medicinal importance of pyrazole and its derivatives, the single crystal X-ray diffraction study was carried out for the potential active 2-Benzyl-3-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4yl]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-C]pyrrole-1-carboxylic acid ethyl ester ($C_{37}H_{31}BrN_4O_4$, H2O). In the title compound are two molecules exist in the asymmetric unit. It crystallizes in the monoclinic space group $P{\hat{i}}$ with unit cell dimension $a=13.361(18){\AA}$, $b=13.424(17){\AA}$ and $c=21.649(2){\AA}$ [${\alpha}=80.745(9)^{\circ}$, ${\beta}=79.770(10)^{\circ}$ and ${\gamma}=60.788(6)^{\circ}$]. The pyrazole ring adopts planar conformation. The sum of the bond angles at nitrogen atom of the pyrazole ring indicates the $Sp^2$ hybridized state. The crystal structure is stabilized by intramolecular C-H...O hydrogen bond interaction.

• 한국소성가공학회:학술대회논문집
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• 한국소성가공학회 2003년도 추계학술대회논문집
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• pp.132-135
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• 2003

Asymmetric rolling, in which the ratio of the rotation rates of the upper and lower rolls was 2, has been used to introduce an intense plastic shear strain for the purpose of grain refinement and developing shear deformation textures through the sheet thickness to improve the strength and plastic strain ratio of AA1050 aluminum alloy sheets. The alloy sheets were rolled at room temperature without lubrication. The textures and microstructures of the sheets were investigated by x-ray diffraction and electron back-scattered diffraction (EBSD) analyses with emphasis on effects of combinations of rot ling directions.

• 통합자연과학논문집
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• 제6권4호
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• pp.193-196
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• 2013

Haemoglobin is an interesting physiologically significant protein composed of specific functional prosthetic haem and globin moieties. In recent decades, there has been substantial interest in attempting to understand the structural basis and functional diversity of avian haemoglobins (Hbs). Towards this end, purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies have been carried out on Amaurornis phoenicurus Hb. Crystals were grown by the hanging drop vapor-diffusion method using PEG 2000 and NaCl as precipitants. The crystals belonged to the primitive monoclinic system $P2_1$, with unit-cell parameters $a=65.33{\AA}$, $b=93.14{\AA}$, $c=98.54{\AA}$, ${\beta}=100.48^{\circ}$; a complete data set was collected to a resolution of $2.6{\AA}$. The Matthews coefficient of $2.30{\AA}^3Da^{-1}$ for the crystal indicated the presence of two ${\alpha}_2{\beta}_2$ tetramers in the asymmetric unit.

• Archives of Pharmacal Research
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• 제25권3호
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• pp.275-279
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• 2002

The crystal structure of byakangelicin, one of furanocoumarin aldose reductase inhibitors, was determined by X-ray diffraction method. The crystal is triclinic, with a=8.114(1), b=10.194(1), $c=11.428(1)\AA,{\;}{\alpha}=111.50(1),{\}{\beta}=95.57(1),{\}{\gamma}=112.52(1)^{circ},{\;}D_x=1.41,{\;}D_m=1.39{\;}g/cm^3$, space group P1 and Z=2. The intensity data were collected by ${\omega}-2{\theta}$ scan method with $CuK_{a}$ radiations. The structure was solved by direct method and refined by full matrix least-squares procedure to the final R-value of 0.056. There are two molecules with different conformations in an asymmetric unit. The molecules are kept by two intermolecular O-HO type hydrogen bonds and van der Waal's forces in the crystal. The absolute configuration of the molecules was estimated to S-form by the 'Eta refinement' procedure.