Neutron and X-ray diffuse scattering of calcium-stabilized zirconia

1996 ◽  
Vol 52 (1) ◽  
pp. 59-65 ◽  
Author(s):  
Th. Proffen ◽  
R. B. Neder ◽  
F. Frey
Keyword(s):  
Oxygen Vacancy ◽  
Defect Structure ◽  
X Ray Diffraction ◽  
Stabilized Zirconia ◽  
Single Vacancy ◽  
Modified Model ◽  
X Ray ◽  
Diffraction Patterns ◽  
Single Oxygen ◽  
Good Agreement

The defect structure of calcium-stabilized zirconia (CSZ) is described in terms of a correlated distribution of microdomains within the cubic matrix of CSZ. The defect structure consists of two types of defects: microdomains based on a single oxygen vacancy with relaxed neighbouring ions and microdomains based on a pair of oxygen vacancies separated by 3 1/2/2a along <111>. The combined evaluation of neutron and X-ray data shows that the previously published structure of the single vacancy domain has to be modified: All cations next to the oxygen vacancy are most likely zirconium. This modified model leads to good agreement between observed and calculated neutron and X-ray diffraction patterns.

The Hinckley index for kaolinites

Clay Minerals ◽  
1988 ◽  
Vol 23 (3) ◽  
pp. 249-260 ◽  
Author(s):  
A. Plançon ◽  
R. F. Giese ◽  
R. Snyder
Keyword(s):  
Diffraction Pattern ◽  
Defect Structure ◽  
Structural Defects ◽  
X Ray Diffraction ◽  
X Ray ◽  
Linear Fashion ◽  
Non Linear ◽  
Diffraction Patterns ◽  
Good Agreement

AbstractThe (02,11) X-ray diffraction band from a low-defect kaolinite from Cornwall (Hinckley index HI = 1·22) was examined to determine the defect structure. No combination of interlayer translations and admixing of dickite layers accurately modelled the observed diffraction pattern. Calculated diffraction patterns which gave a good agreement with the shape, position, and intensity of the observed peaks, uniformly had inter-peak intensities which were too weak. By treating the kaolinite as a mixture of low-defect (HI = 1·76) and moderate-defect (HI = 0·29) kaolinites, the agreement between the observed and calculated patterns was improved substantially. The existence of a mixture of two kaolinites was also found for a number of low-defect samples (HI > 0·4) from Georgia and Cornwall, and may be of even wider occurrence. The HI, which is very sensitive to the inner-peak intensities, does not estimate the types or abundances of various structural defects (the classical “crystallinity”), but is related directly, in a non-linear fashion, to the proportions of the two kinds of kaolinite which are present in the sample.

Evaluation of Reference X-ray Diffraction Patterns in the ICDD Powder Diffraction File

1990 ◽  
Vol 34 ◽  
pp. 369-376
Author(s):  
G. J. McCarthy ◽  
J. M. Holzer ◽  
W. M. Syvinski ◽  
K. J. Martin ◽  
R. G. Garvey
Keyword(s):  
Powder Diffraction ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Cd Rom ◽  
X Ray ◽  
Binary Oxides ◽  
Diffraction Patterns ◽  
Input Format ◽  
Good Agreement

AbstractProcedures and tools for evaluation of reference x-ray powder patterns in the JCPDSICDD Powder Diffraction File are illustrated by a review of air-stable binary oxides. The reference patterns are evaluated using an available microcomputer version of the NBS*A1DS83 editorial program and PDF patterns retrieved directly from the CD-ROM in the program's input format. The patterns are compared to calculated and experimental diffractograms. The majority of the oxide patterns have been found to be in good agreement with the calculated and observed diffractograms, but are often missing some weak reflections routinely observed with a modern diffractometer. These weak reflections are added to the PDF pattern. For the remainder of the phases, patterns are redetermined.

Characterization of Plasma Sprayed Yittria Stabilized Zirconia (8 wt %) Hydroxyapatite Coatings

2011 ◽  
Vol 493-494 ◽  
pp. 535-538
Author(s):  
O. Anzabi ◽  
M.M. Aydin ◽  
L.S. Ozyegin ◽  
F.N. Oktar ◽  
Kārlis A. Gross ◽  
...  
Keyword(s):  
Titanium Oxide ◽  
Pure Titanium ◽  
X Ray Diffraction ◽  
Stabilized Zirconia ◽  
X Ray ◽  
Bond Coatings ◽  
Bond Coating ◽  
Bond Layer ◽  
Diffraction Patterns ◽  
Plasma Sprayed

Splitting problems at HA-coated implants are generally due to biological reasons. Bond-coatings were used to prevent the splitting problem of zirconia ceramics; this method can be widely seen in industrial applications. Two main groups were used; the first group consisted of spraying a bond layer of titania onto commercially pure titanium. This followed by a spray of HA with 5, 10 and 15 % zirconia (8 % yttria doped) as main layer onto the first bond-coating. For the second group, the samples were coated without bond-coating. Firstly, X-ray diffraction patterns of the starting powders were taken. Then x-ray diffraction patterns of the plasma sprayed samples were taken. In literature, it was seen that 20 % zirconia was sufficient for the transformation into a monoclinic structure for the bond-coated samples. For this study it was found that 10 % zirconia was sufficient to transform to the same structure of the desired crystalline phase transformation. The coating kept its crystal structure and relatively small amount of amorphous transformation was detected. A similar structure was produced using less zirconia. It was thought that the use of titanium-oxide bond-coating layer would play an important role as a third variable in the results. To further investigate these phenomena, more detailed researches must be conducted with using titanium-oxide yittria stabilized zirconia (8 wt %) hydroxyapatite bond-coatings with HA main coatings.

An expert system for the structural characterization of kaolinites

Clay Minerals ◽  
1990 ◽  
Vol 25 (3) ◽  
pp. 249-260 ◽  
Author(s):  
A. Plançon ◽  
C. Zacharie
Keyword(s):  
Expert System ◽  
Defect Structure ◽  
Defect Structures ◽  
X Ray Diffraction ◽  
Diffraction Profile ◽  
X Ray ◽  
Diffraction Patterns ◽  
Xrd Patterns

AbstractUntil recently, the determination of the defect structures (previously referred to incorrectly as “crystallinity”) of kaolinites has been obtained in one of two ways: (1) measurement of the Hinckley index, or (2) by comparing calculated X-ray diffraction patterns based on a model of the defect structure (including types of defects and abundances) with experimental diffraction profiles. The Hinckley method is simple and easy to perform but contains no real information about the defect structure. Calculated XRD patterns are based on real defects but these calculations are time consuming and require some skill in application. Another approach is proposed: an expert system which will accurately describe the defect structure of kaolinites based on a few measurements taken from a normal powder diffraction profile. This system has been verified for nine kaolinite samples for which the defect structure was previously determined by comparison of calculated and observed diffraction profiles. The expert system reproduced the correct defect structure for each of the samples.

An Application of Multigrain Approaches to the Structural Solution of Grains from Polycrystalline Samples

2019 ◽  
Vol 288 ◽  
pp. 119-123 ◽  
Author(s):  
Jav Davaasambuu ◽  
Jon Wright ◽  
Henning O. Soerensen ◽  
Soeren Schmidt ◽  
Henning F. Poulsen ◽  
...  
Keyword(s):  
Structural Refinement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Experimental Parameters ◽  
Resolution Level ◽  
Diffraction Patterns ◽  
The Individual ◽  
Individual Grains ◽  
Comparison Of The Results ◽  
Good Agreement

The overlap of diffraction spots from different grains was investigated to understand the influence of experimental factors on the x-ray diffraction data quality and to optimize the experimental parameters for data collection on polycrystalline samples. Diffraction patterns for photoactive polycrystals were indexed and sorted with respect to grains using multigrain approaches. The indexing of diffraction spots and the identification of grains for tetrathiafulvalene-p-chloranil samples were performed using the ImageD11, GrainSpotter, GRAINDEX and Cell_now programs. In many cases, comparison of the results from these programs shows good agreement. For the individual grains from polycrystalline samples, the crystal structure was solved and refined using the SHELXTL program. After the structural refinement of the grains, the best and the average R1 values were 1.93% and 2.06%, respectively, which are on a comparable resolution level with that obtained from the x-ray single crystal measurements.

Powder-Pattern: A System of Programs for Processing and Interpreting Powder Diffraction Data

1982 ◽  
Vol 26 ◽  
pp. 63-72 ◽  
Author(s):  
Nikos P. Pyrros ◽  
Camden R. Hubbard
Keyword(s):  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Pure Phase ◽  
Diffraction Patterns ◽  
Better Than ◽  
Good Agreement

The production of standard x-ray diffraction patterns at NBS imposes special requirements in the data processing of powder patterns. The patterns should be complete and have an overall accuracy of better than 0.01 degree two theta. To ensure completeness all the observable peaks should be indexed. To make certain that the sample is a pure phase, weak peaks have to be identified as well.The indexing of all the peaks implies that the cell constants must be known and there should be a good agreement between all the calculated and observed peak positions. In practice this is achieved by a least-squares refinement of the unit cell parameters. This serves as a test of the assumed unit cell and also as an interpretation of the observed peaks. Finally, an attempt is made to identify the space group. This step also requires the identification of weak peaks. The agreement of a known space group with the observed reflections further confirms the purity of the sample.

The Effects of Composition and Sintering Conditions on Zirconia Toughened Alumina (ZTA) Nanocomposites

2010 ◽  
Vol 93-94 ◽  
pp. 695-698 ◽  
Author(s):  
H. Esfahani ◽  
Ali Nemati ◽  
E. Salahi
Keyword(s):  
Tetragonal Zirconia ◽  
Al2o3 Nanoparticles ◽  
X Ray Diffraction ◽  
Stabilized Zirconia ◽  
Constant Composition ◽  
X Ray ◽  
Different Temperatures ◽  
Lattice Network ◽  
Diffraction Patterns ◽  
Zirconia Toughened Alumina

Zirconia Toughened Alumina (ZTA) Nanocomposites were prepared using Nano sized Zirconia (ZrO2) powders doped with 3% mol of yttria (Y2O3) nanopowders. Diffusion of α-alumina (Al2O3) nanoparticles as well as yttria into the Zirconia lattice network drives monoclinic – tetragonal martensitic transformation. Zirconia toughened alumina (ZTA) composites containing different amount of partially stabilized Zirconia (PSZ) 5, 10, 15 and 20% mol, were prepared via wet mixing and axial pressing. After sintering at different temperatures,1450, 1550 and 1650 °C, phase change in the samples were monitored. X-ray diffraction patterns showed that at constant composition, tetragonal zirconia was increased by temperature increasing due to intensification of diffuse coefficient of alumina and yttria in the system. At constant temperature, remained monoclinic zirconia was increased with Zirconia content increasing.

The Molecular Structure and Hydrogen Bond Geometry in Liquid Formamide: Electron, Neutron, and X-Ray Diffraction Studies

1983 ◽  
Vol 38 (2) ◽  
pp. 231-236 ◽  
Author(s):  
E. Kálmán ◽  
I. Serke ◽  
G. Pálinkás ◽  
M. D. Zeidler ◽  
F. J. Wiesmann ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Electron Diffraction ◽  
Diffraction Data ◽  
Free Molecule ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Mean ◽  
Diffraction Patterns ◽  
Good Agreement

Abstract Electron, neutron and X-ray diffraction patterns of liquid formamide have been measured at a temperature of 25 °C. Analysis of the diffraction data yields the molecular structure and the average geometry of the hydrogen bond. The molecular parameters obtained from liquid diffraction experiments are in good agreement with those from gas electron diffraction for the free molecule. The mean O…N and O…H hydrogen bond distances are 2.9 Å and 1.9 Å, respectively. Four H-bonds per molecule are found on the average. The deviation of the H-bonds from the linearity is estimated.

X-Ray Scattering (Modeling and Experiment) of InxGa1-xAs/GaAs Multiple Quantum Wells

1987 ◽  
Vol 103 ◽  
Author(s):  
Jichai Jeong ◽  
J. C. Lee ◽  
M. A. Shahid ◽  
T. E. Schlesinger ◽  
A. G. Milnes
Keyword(s):  
Quantum Well ◽  
Quantum Wells ◽  
Multiple Quantum ◽  
X Ray Diffraction ◽  
Quantum Well Structures ◽  
X Ray ◽  
X Ray Scattering ◽  
Transmission Electron ◽  
Diffraction Patterns ◽  
Good Agreement

ABSTRACTX-ray diffraction, transmission electron microscopy (TEM), and photoluminescence measurements have been made on strained InxGa1-xAs/GaAs quantum well structures. The well widths measured from TEM are 187, 115 and 69 Å for an interrupted growth, and 218, 126, 60 Å for a non-interrupted growth. In the measured x-ray diffraction patterns, the Pendellosung fringes due to GaAs barriers are modulated by a broad weak peak mostly coming from the thickest InxGa1-xAs well layer and is fairly symmetric for the noninterrupted sample. For the interrupted quantum well, the x-ray diffraction pattern is less symmetric, since there is further modulation by another broader and weaker peak. This results show that the In content in the InxGa1-xAs well layers are not well controlled for the interrupted quantum well. Using actual thickness measured from TEM, x-ray diffraction patterns are calculated and good agreement is obtained between the measured and the calculated x-ray diffraction patterns. The three strained InxGa1-xAs/Gaks quantum wells grown without interruption produce high intensity and narrow full-width at half-maximum (FWHIM) of 2.9 meV of the photoluminescence peak. The photoluminescence peaks for the interrupted quantum well are relatively broad and asymmetric, and have lower intensities, indicating that better quality InxGa1-xAs/GaAs quantum wells can be grown without interruption.

Automatic determination of diffuse-peak positions and the centre of a diffraction pattern

1999 ◽  
Vol 32 (2) ◽  
pp. 332-335 ◽  
Author(s):  
S. J. Wilkinson ◽  
D. W. L. Hukins
Keyword(s):  
Annulus Fibrosus ◽  
Gaussian Function ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oriented Molecules ◽  
Beam Stop ◽  
Diffraction Patterns ◽  
Good Agreement

Correlation with a two-dimensional Gaussian function was used to locate the positions of diffuse peaks in X-ray diffraction patterns. The centre of a pattern was defined as the centroid of the image of the undeflected beam, found by convolution with a two-dimensional Gaussian function. These methods were implemented using the IDL programing language. They were tested on diffraction patterns from systems containing oriented molecules of the protein collagen: collagen tape, elastoidin spicules and annulus fibrosus of intervertebral disc. Specimens were dusted with quartz to calibrate the diffraction patterns. These patterns were recorded on film, using a semi-transparent beam stop to obtain an image of the undeflected beam, and digitized at a resolution of 105 µm. Intermolecular spacings, calculated from the distance between a peak and the centre of a pattern, were in good agreement with those determined previously.

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