scholarly journals A re-evaluation of diffraction from Si(111) 7 × 7: decoding the encoded phase information in the 7 × 7 diffraction pattern

2021 ◽  
Vol 23 (13) ◽  
pp. 8043-8074
Author(s):  
J. E. Demuth
Keyword(s):  
Diffraction Pattern ◽  
Structural Models ◽  
Phase Information ◽  
X Ray

The diffraction features of Si(111) 7 × 7 are analyzed using new X-ray data (top) and found to provide improved agreement for a particular C3v structure (bottom) over earlier measurements and their structural models.

Electron Microscopy of Shock Loaded Polycrystalline Beryllium

1974 ◽  
Vol 32 ◽  
pp. 506-507 ◽  
Author(s):  
J. M. Galbraith ◽  
L. E. Murr ◽  
A. L. Stevens
Keyword(s):  
Electron Microscopy ◽  
Wave Propagation ◽  
Structural Change ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Shock Loading ◽  
Slip Systems ◽  
Compression Tests ◽  
X Ray Diffraction ◽  
X Ray

Uniaxial compression tests and hydrostatic tests at pressures up to 27 kbars have been performed to determine operating slip systems in single crystal and polycrystal1ine beryllium. A recent study has been made of wave propagation in single crystal beryllium by shock loading to selectively activate various slip systems, and this has been followed by a study of wave propagation and spallation in textured, polycrystal1ine beryllium. An alteration in the X-ray diffraction pattern has been noted after shock loading, but this alteration has not yet been correlated with any structural change occurring during shock loading of polycrystal1ine beryllium.This study is being conducted in an effort to characterize the effects of shock loading on textured, polycrystal1ine beryllium. Samples were fabricated from a billet of Kawecki-Berylco hot pressed HP-10 beryllium.

Cytomembrane Preservation in Tissue Dehydrated Only With Glutaraldehyde and Epon 812 Resin

1973 ◽  
Vol 31 ◽  
pp. 320-321
Author(s):  
Daniel C. Pease
Keyword(s):  
Diffraction Pattern ◽  
X Ray Diffraction ◽  
High Concentration ◽  
Unpublished Study ◽  
X Ray ◽  
Sectioned Material

A previous study demonstrated that tissue could be successfully infiltrated with 50% glutaraldehyde, and then subsequently polymerized with urea to create an embedment which retained cytomembrane lipids in sectioned material. As a result, the 180-190 Å periodicity characteristic of fresh, mammalian myelin was preserved in sections, as was a brilliant birefringence, and the capacity to bind OsO4 vapor in the hydrophobic bilayers. An associated (unpublished) study, carried out in co-operation with Drs. C.K. Akers and D.F. Parsons, demonstrated that the high concentration of glutaraldehyde (and urea) did not significantly alter the X-ray diffraction pattern of aldehyde-fixed, myelin. Thus, by itself, 50% glutaraldehyde has little effect upon cytomembrane systems and can be used with confidence for the first stages of dehydration.

Automatic measurement of SAED patterns from asbestos minerals

1988 ◽  
Vol 46 ◽  
pp. 846-847
Author(s):  
J. C. Russ ◽  
T. Taguchi ◽  
P. M. Peters ◽  
E. Chatfield ◽  
J. C. Russ ◽  
...  
Keyword(s):  
Diffraction Pattern ◽  
High Precision ◽  
Diffraction Data ◽  
Automatic Measurement ◽  
Automatic Method ◽  
Important Method ◽  
X Ray ◽  
Integrated Intensity ◽  
Asbestiform Minerals ◽  
True Center

Conventional SAD patterns as obtained in the TEM present difficulties for identification of materials such as asbestiform minerals, although diffraction data is considered to be an important method for making this purpose. The preferred orientation of the fibers and the spotty patterns that are obtained do not readily lend themselves to measurement of the integrated intensity values for each d-spacing, and even the d-spacings may be hard to determine precisely because the true center location for the broken rings requires estimation. We have implemented an automatic method for diffraction pattern measurement to overcome these problems. It automatically locates the center of patterns with high precision, measures the radius of each ring of spots in the pattern, and integrates the density of spots in that ring. The resulting spectrum of intensity vs. radius is then used just as a conventional X-ray diffractometer scan would be, to locate peaks and produce a list of d,I values suitable for search/match comparison to known or expected phases.

The structure of amorphous and polycrystalline materials using energy-filtered RDF analysis

1992 ◽  
Vol 50 (2) ◽  
pp. 1190-1191
Author(s):  
David Cockayne ◽  
David McKenzie
Keyword(s):  
Electron Diffraction ◽  
Diffraction Pattern ◽  
Density Function ◽  
Electron Diffraction Pattern ◽  
Polycrystalline Materials ◽  
Nearest Neighbour ◽  
X Ray ◽  
Selected Area Electron Diffraction ◽  
Reduced Density ◽  
System F

The technique of Electron Reduced Density Function (RDF) analysis has ben developed into a rapid analytical tool for the analysis of small volumes of amorphous or polycrystalline materials. The energy filtered electron diffraction pattern is collected to high scattering angles (currendy to s = 2 sinθ/λ = 6.5 Å-1) by scanning the selected area electron diffraction pattern across the entrance aperture to a GATAN parallel energy loss spectrometer. The diffraction pattern is then converted to a reduced density function, G(r), using mathematical procedures equivalent to those used in X-ray and neutron diffraction studies.Nearest neighbour distances accurate to 0.01 Å are obtained routinely, and bond distortions of molecules can be determined from the ratio of first to second nearest neighbour distances. The accuracy of coordination number determinations from polycrystalline monatomic materials (eg Pt) is high (5%). In amorphous systems (eg carbon, silicon) it is reasonable (10%), but in multi-element systems there are a number of problems to be overcome; to reduce the diffraction pattern to G(r), the approximation must be made that for all elements i,j in the system, fj(s) = Kji fi,(s) where Kji is independent of s.

scholarly journals Efficient methods of X-ray diffraction pattern inversion

2019 ◽  
Vol 15 ◽  
pp. 102605
Author(s):  
Ian Gregory Shuttleworth
Keyword(s):  
Diffraction Pattern ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals New Insights into the Crystal Chemistry of Elpidite, Na2Zr[Si6O15]·3H2O and (Na1+YCax□1−X−Y)Σ=2Zr[Si6O15]·(3−X)H2O, and Ab Initio Modeling of IR Spectra

Materials ◽  
2021 ◽  
Vol 14 (9) ◽  
pp. 2160
Author(s):  
Alexander Bogdanov ◽  
Ekaterina Kaneva ◽  
Roman Shendrik
Keyword(s):  
Ir Spectra ◽  
Structural Models ◽  
Chemical Characterization ◽  
Chemical Compositions ◽  
X Ray Diffraction ◽  
Special Group ◽  
X Ray ◽  
Influence Of Water ◽  
Radioactive Species

Elpidite belongs to a special group of microporous zirconosilicates, which are of great interest due to their capability to uptake various molecules and ions, e.g., some radioactive species, in their structural voids. The results of a combined electron probe microanalysis and single-crystal X-ray diffraction study of the crystals of elpidite from Burpala (Russia) and Khan-Bogdo (Mongolia) deposits are reported. Some differences in the chemical compositions are observed and substitution at several structural positions within the structure of the compounds are noted. Based on the obtained results, a detailed crystal–chemical characterization of the elpidites under study was carried out. Three different structure models of elpidite were simulated: Na2ZrSi6O15·3H2O (related to the structure of Russian elpidite), partly Ca-replaced Na1.5Ca0.25ZrSi6O15·2.75H2O (close to elpidite from Mongolia), and a hypothetical CaZrSi6O15·2H2O. The vibration spectra of the models were obtained and compared with the experimental one, taken from the literature. The strong influence of water molecule vibrations on the shape of IR spectra of studied structural models of elpidite is discussed in the paper.

scholarly journals X-ray diffraction analysis of matter taking into account the second harmonic in the scattering of powerful ultrashort pulses of an electromagnetic field

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
M. K. Eseev ◽  
A. A. Goshev ◽  
K. A. Makarova ◽  
D. N. Makarov
Keyword(s):  
Electromagnetic Field ◽  
Diffraction Analysis ◽  
Diffraction Pattern ◽  
Second Harmonic ◽  
Ultrashort Pulses ◽  
X Ray Diffraction ◽  
X Ray ◽  
Scattering Spectra ◽  
Technical Possibility ◽  
2D And 3D

AbstractIt is well known that the scattering of ultrashort pulses (USPs) of an electromagnetic field in the X-ray frequency range can be used in diffraction analysis. When such USPs are scattered by various polyatomic objects, a diffraction pattern appears from which the structure of the object can be determined. Today, there is a technical possibility of creating powerful USP sources and the analysis of the scattering spectra of such pulses is a high-precision instrument for studying the structure of matter. As a rule, such scattering occurs at a frequency close to the carrier frequency of the incident USP. In this work, it is shown that for high-power USPs, where the magnetic component of USPs cannot be neglected, scattering at the second harmonic appears. The scattering of USPs by the second harmonic has a characteristic diffraction pattern which can be used to judge the structure of the scattering object; combining the scattering spectra at the first and second harmonics therefore greatly enhances the diffraction analysis of matter. Scattering spectra at the first and second harmonics are shown for various polyatomic objects: examples considered are 2D and 3D materials such as graphene, carbon nanotubes, and hybrid structures consisting of nanotubes. The theory developed in this work can be applied to various multivolume objects and is quite simple for X-ray structural analysis, because it is based on analytical expressions.

scholarly journals Quantifying the likelihood of structural models through a dynamically enhanced powder X‐ray diffraction protocol

2021 ◽  
Author(s):  
Sander Borgmans ◽  
Sven M.J. Rogge ◽  
Juul S. De Vos ◽  
Christian V. Stevens ◽  
Pascal Van Der Voort ◽  
...  
Keyword(s):  
Structural Models ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals The crystal structures and mechanical properties of the uranyl carbonate minerals roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite

2020 ◽  
Vol 7 (21) ◽  
pp. 4197-4221 ◽  
Author(s):  
Francisco Colmenero ◽  
Jakub Plášil ◽  
Jiří Sejkora
Keyword(s):  
Mechanical Properties ◽  
Hydrogen Bonding ◽  
Diffraction Pattern ◽  
Crystal Structures ◽  
First Principles ◽  
X Ray Diffraction ◽  
Carbonate Minerals ◽  
X Ray ◽  
Uranyl Carbonate

The structure, hydrogen bonding, X-ray diffraction pattern and mechanical properties of six important uranyl carbonate minerals, roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite, are determined using first principles methods.

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