scholarly journals X-Ray Diffraction and Density Distribution Measurements on the Al2O3 Crystals Grown by Czochralski Method with Different Pull Rate

2015 ◽  
Vol 1 (1) ◽  
pp. 1 ◽  
Author(s):  
Hamdan Hadi Kusuma
Keyword(s):  
Density Measurement ◽  
Czochralski Method ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Hexagonal System ◽  
X Ray ◽  
Lattice Constants ◽  
The Difference ◽  
Measurement Base ◽  
Good Agreement

The Al<sub>2</sub>O<sub>3</sub> crystal has been done by Czochralki Method with different pull rate. The effect of pull rate on the Al<sub>2</sub>O<sub>3</sub> single crystal was characterized using X-ray diffraction and density measurement. Base on the XRD result of Al<sub>2</sub>O<sub>3</sub> crystal, which belongs to the hexagonal system, except for the difference in the relative intensity, present diffraction data which are found to be in good agreement with those of the powder diffraction file (PDF) 43-1484 provided by the JCPDS. It was observed the structure with symmetry group <em>D</em><sup>6</sup><sub>3d</sub>–<em>R</em>3<em>C </em>and has lattice constants being <em>a </em>= 4.759 Å, <em>c</em> = 12.99 Å. The density of the crystals increased with the pull rate. This phenomenon is caused by the speed of the pull rate crystal that causes changes in the heat flow in the furnace and then changed homogeneities of species distribution of atoms along the crystal. © 2015 JNSMR UIN Walisongo. All rights reserved.

Local atomic structure in tetragonal pure ZrO2nanopowders

2010 ◽  
Vol 43 (2) ◽  
pp. 227-236 ◽  
Author(s):  
Leandro M. Acuña ◽  
Diego G. Lamas ◽  
Rodolfo O. Fuentes ◽  
Ismael O. Fábregas ◽  
Márcia C. A. Fantini ◽  
...  
Keyword(s):  
Tetragonal Phase ◽  
Local Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Atomic Structures ◽  
Crystallite Sizes ◽  
Exafs Study ◽  
The Difference ◽  
X Ray Absorption ◽  
Good Agreement

The local atomic structures around the Zr atom of pure (undoped) ZrO2nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO2nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr—O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye–Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to thezdirection; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.

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.

Powder X-ray diffraction data of new bismuth yttrium gadolinium oxides

2008 ◽  
Vol 23 (3) ◽  
pp. 255-258
Author(s):  
M. Alizadeh ◽  
K. Ahmadi ◽  
A. Maghsudipour ◽  
F. Moztarzadeh
Keyword(s):  
Diffraction Data ◽  
Solid State Reaction Method ◽  
Cubic Phase ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lattice Constants ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Good Agreement

X-ray powder diffraction data for five new bismuth yttrium gadolinium oxide compounds synthesized by solid state reaction method are reported. The unit cell dimensions were determined from X-ray diffraction methods, using CuKα radiation, and evaluated by indexing programs. The cubic phase was the sole crystalline phase detected by X-ray diffraction analysis in Bi0.88Y0.06Gd0.06O1.5, Bi0.88Y0.08Gd0.04O1.5, Bi0.82Y0.09Gd0.09O1.5, Bi0.82Y0.12Gd0.06O1.5, and Bi0.82Y0.06Gd0.12O1.5 samples with lattice constants of a=5.5371(1) Å, a=5.5368(1) Å, a=5.5303(2) Å, a=5.53487(8) Å, and a=5.5279(1) Å, respectively. The results are in good agreement with those reported for bismuth yttrium oxide (Bi0.75Y0.25)O1.5 (PDF 01-084-1450).

X-Ray Diffraction Study of Methanol-Water Mixtures

1994 ◽  
Vol 49 (10) ◽  
pp. 967-972 ◽  
Author(s):  
I. Bakó ◽  
G. Pálinkás ◽  
K. Heinzinger
Keyword(s):  
Structure Functions ◽  
Excess Functions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thermodynamic Excess Functions ◽  
The Difference ◽  
Diffraction Patterns ◽  
Molecular Dynamics Results ◽  
Experimental Structure ◽  
Good Agreement

Abstract X-ray diffraction patterns o f m ethanol-water mixtures with mole fractions of methanol molecules o f 0.1, 0.25 and 0.9 have been measured. The experimental structure functions of mixtures are compared with those of pure solvents and with recent Molecular Dynamics results. Difference structure functions similar to thermodynamic excess functions are introduced for the analysis of methanol-water interactions. The comparison of the total and the difference structure functions from experiments and simulations shows an overall good agreement.

QUANTITATIVE MANOMETRIC DETERMINATION OF CALCITE AND DOLOMITE IN SOILS AND LIMESTONES

1959 ◽  
Vol 39 (2) ◽  
pp. 197-204 ◽  
Author(s):  
S. I. M. Skinner ◽  
R. L. Halstead ◽  
J. E. Brydon
Keyword(s):  
Complete Solution ◽  
X Ray Diffraction ◽  
Linear Portion ◽  
X Ray ◽  
The Difference ◽  
Time Extrapolation ◽  
Zero Time ◽  
Manometric Determination ◽  
Good Agreement

The determination is based on the difference in rates of solution of calcite and dolomite. The CO2 evolved from reaction of a mixture of calcite and dolomite in excess HCl is measured at frequent intervals until the reaction is completed. The logarithm of the amount of CO2 equivalent to unreacted carbonate is plotted against time. Following the rapid and complete solution of calcite, the curve for dolomite assumes a much smaller slope and is linear for a period of time. Extrapolation of this linear portion of the curve to zero time gives the amount of CO2 equivalent to the dolomite initially present. The CO2 from calcite is obtained by difference from the total CO2. The amounts of calcite and dolomite found in a number of prepared mixtures by this intercept method were in good agreement with the amounts known to be present. Several samples of limestone and calcareous soil were analysed by the proposed method and the results were compared with X-ray diffraction and chemical data.

scholarly journals Structural and Elastic Properties of Li-Ni Ferrite

2011 ◽  
Vol 2011 ◽  
pp. 1-9 ◽  
Author(s):  
S. A. Mazen ◽  
T. A. Elmosalami
Keyword(s):  
Cation Distribution ◽  
Lattice Parameter ◽  
X Ray Diffraction ◽  
Ceramic Method ◽  
X Ray ◽  
Lattice Constants ◽  
Wave Velocities ◽  
Rigidity Modulus ◽  
Binding Forces ◽  
Good Agreement

Li-Nickel ferrites with the chemical formula () have been prepared by the ceramic method. The spinel structure in homogenous state was realized by X-ray diffraction analysis. The lattice parameter has been determined for each composition and found to be nearly constant over the whole range of Ni concentration (= 0.83 nm ± 0.01). The cation distribution for each composition has been suggested. The experimental and theoretical lattice constants were found to be in good agreement with each other confirming the agreeability of the suggested cation distribution. The analysis of IR spectra indicates the presence of splitting in the absorption band due to the presence of small amounts of Fe2+ ions in the ferrite system. The force constants for tetrahedral and octahedral sites have been determined. Young’s modulus (E), rigidity modulus (G), bulk modulus (B), Debye temperature (), and transverse () and longitudinal () wave velocities have been determined. The variation of elastic moduli with composition has been interpreted in terms of binding forces between the atoms of spinal lattice.

Antiphase Boundaries in Ordered Ni3FE Crystals

1969 ◽  
Vol 27 ◽  
pp. 62-63
Author(s):  
Y. H. Liu
Keyword(s):  
Domain Size ◽  
Antiphase Domain ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hardening Mechanism ◽  
Superlattice Structure ◽  
Disordered Phase ◽  
Domain Boundaries ◽  
Atomic Scattering ◽  
The Difference

Ordered Ni3Fe crystals possess a LI2 type superlattice similar to the Cu3Au structure. The difference in slip behavior of the superlattice as compared with that of a disordered phase has been well established. Cottrell first postulated that the increase in resistance for slip in the superlattice structure is attributed to the presence of antiphase domain boundaries. Following Cottrell's domain hardening mechanism, numerous workers have proposed other refined models also involving the presence of domain boundaries. Using the anomalous X-ray diffraction technique, Davies and Stoloff have shown that the hardness of the Ni3Fe superlattice varies with the domain size. So far, no direct observation of antiphase domain boundaries in Ni3Fe has been reported. Because the atomic scattering factors of the elements in NijFe are so close, the superlattice reflections are not easily detected. Furthermore, the domain configurations in NioFe are thought to be independent of the crystallographic orientations.

A DFT study of spherands containing five anisyl groups — Highly preorganized to bind the alkali metal

2006 ◽  
Vol 84 (8) ◽  
pp. 1045-1049 ◽  
Author(s):  
Shabaan AK Elroby ◽  
Kyu Hwan Lee ◽  
Seung Joo Cho ◽  
Alan Hinchliffe
Keyword(s):  
Density Functional Theory ◽  
Binding Energy ◽  
Density Functional ◽  
Ionic Radius ◽  
Binding Energies ◽  
Cavity Size ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
Good Agreement

Although anisyl units are basically poor ligands for metal ions, the rigid placements of their oxygens during synthesis rather than during complexation are undoubtedly responsible for the enhanced binding and selectivity of the spherand. We used standard B3LYP/6-31G** (5d) density functional theory (DFT) to investigate the complexation between spherands containing five anisyl groups, with CH2–O–CH2 (2) and CH2–S–CH2 (3) units in an 18-membered macrocyclic ring, and the cationic guests (Li+, Na+, and K+). Our geometric structure results for spherands 1, 2, and 3 are in good agreement with the previously reported X-ray diffraction data. The absolute values of the binding energy of all the spherands are inversely proportional to the ionic radius of the guests. The results, taken as a whole, show that replacement of one anisyl group by CH2–O–CH2 (2) and CH2–S–CH2 (3) makes the cavity bigger and less preorganized. In addition, both the binding and specificity decrease for small ions. The spherands 2 and 3 appear beautifully preorganized to bind all guests, so it is not surprising that their binding energies are close to the parent spherand 1. Interestingly, there is a clear linear relation between the radius of the cavity and the binding energy (R2 = 0.999).Key words: spherands, preorganization, density functional theory, binding energy, cavity size.

Problems Associated with Kα Doublet in Residual Stress Measurements

1979 ◽  
Vol 23 ◽  
pp. 333-339
Author(s):  
S. K. Gupta ◽  
B. D. Cullity
Keyword(s):  
Residual Stress ◽  
Silicon Powder ◽  
Lattice Parameter ◽  
Diffraction Peak ◽  
Parameter Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Analysis Techniques ◽  
The Difference ◽  
Similar Accuracy

Since the measurement of residual stress by X-ray diffraction techniques is dependent on the difference in angle of a diffraction peak maximum when the sample is examined consecutively with its surface at two different angles to the diffracting planes, it is important that these diffraction angles be obtained precisely, preferably with an accuracy of ± 0.01 deg. 2θ. Similar accuracy is desired in precise lattice parameter determination. In such measurements, it is imperative that the diffractometer be well-aligned. It is in the context of diffractometer alignment with the aid of a silicon powder standard free of residual stress that the diffraction peak analysis techniques described here have been developed, preparatory to residual stress determinations.

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