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.

Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals

2015 ◽  
Vol 71 (3) ◽  
pp. 285-292 ◽  
Author(s):  
M. Rajasekar ◽  
K. Muthu ◽  
A. Aditya Prasad ◽  
R. Agilandeshwari ◽  
SP Meenakshisundaram
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Morphological Changes ◽  
Strong Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters

Single crystals of molybdenum-incorporated tris(thiourea)zinc(II) sulfate (MoZTS) are grown by the slow evaporation solution growth technique. Crystal composition as determined by single-crystal X-ray diffraction analysis reveals that it belongs to the orthorhombic system with space groupPca21and cell parametersa= 11.153 (2),b= 7.7691 (14),c= 15.408 (3) Å,V= 1335.14 (4) Å3andZ= 4. The surface morphological changes are studied by scanning electron microscopy. The vibrational patterns in FT–IR are used to identify the functional group and TGA/DTA (thermogravimetric analysis/differential thermal analysis) indicates the stability of the material. The structure and the crystallinity of the material were confirmed by powder X-ray diffraction analysis and the simulated X-ray diffraction (XRD) closely matches the experimental one with varied intensity patterns. The band gap energy is estimated using diffuse reflectance data by the application of the Kubelka–Munk algorithm. The relative second harmonic generation (SHG) efficiency measurements reveal that MoZTS has an efficiency comparable to that of tris(thiourea)zinc(II) sulfate (ZTS). Hirshfeld surfaces were derived using single-crystal X-ray diffraction data. Investigation of the intermolecular interactions and crystal packingviaHirshfeld surface analysis reveal that the close contacts are associated with strong interactions. Intermolecular interactions as revealed by the fingerprint plot and close packing could be the possible reasons for facile charge transfer leading to SHG activity.

Characterization of Mycelium-Like Material Formed During Drying of Salt Stock Prunes

1994 ◽  
Vol 57 (9) ◽  
pp. 817-819
Author(s):  
ROBIN Y.-Y. CHIOU ◽  
WEN-CHING TZENG ◽  
KUO-FONG HUANG
Keyword(s):  
Organic Matter ◽  
Sodium Chloride ◽  
Citric Acid ◽  
Diffraction Analysis ◽  
Diffraction Pattern ◽  
X Ray Diffraction ◽  
X Ray

Material with the appearance of mold mycelium was formed on salt stock prunes during drying. The moisture-free mycelium-like material consisted of 98.5 to 98.7% sodium chloride (NaCl), 1.67% organic matter and 0.165% acidity expressed as citric acid. X-ray diffraction analysis of the material revealed a diffraction pattern similar to that of NaCl. Formation of the material was dependent upon the efficiency and extent of drying. However, the material was not observed on deskinned salt stock prunes subjected to drying.

Structure Analysis of Intercalated Zirconium Phosphate Using Molecular Simulation

1998 ◽  
Vol 31 (6) ◽  
pp. 845-850 ◽  
Author(s):  
Pavla Čapková ◽  
Ludvi´k Beneš ◽  
Klára Melánová ◽  
Henk Schenk
Keyword(s):  
Ir Spectroscopy ◽  
Diffraction Analysis ◽  
Diffraction Pattern ◽  
Molecular Simulation ◽  
Zirconium Phosphate ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Layer Stacking ◽  
Modelling Environment

Molecular simulation supported by X-ray diffraction and IR spectroscopy has been used to analyse the structure of α-zirconium phosphate intercalated by ethanol, Zr(HPO4)2.2C2H5OH. Molecular-mechanics simulations using theCrystal Packermodule in theCerius2modelling environment revealed the crystal packing in the interlayer,i.e.the positions of ethanol with respect to the Zr(HPO4)2layers and the layer stacking in the intercalated structure. The average interlayer distanced\,=\,14.03 (13) Å obtained by modelling is in agreement with the experimentaldvalue of 14.05 (4) Å obtained from the X-ray diffraction analysis. The disorder in the Zr(HPO4)2.2C2H5OH structure found by molecular simulation has been confirmed by the character of the X-ray diffraction pattern.

A tool for X-ray diffraction analysis of thin layers on substrates: substrate peak removal method

2000 ◽  
Vol 33 (1) ◽  
pp. 108-111
Author(s):  
J.-D. Kamminga ◽  
R. Delhez ◽  
Th. H. de Keijser ◽  
E. J. Mittemeijer
Keyword(s):  
Thin Layer ◽  
Diffraction Analysis ◽  
Diffraction Pattern ◽  
Tool Steel ◽  
Steel Substrate ◽  
Thin Layers ◽  
X Ray Diffraction ◽  
X Ray ◽  
Separate Measurement

A method is proposed that removes the substrate peaks from a diffraction pattern recorded from a substrate covered with a thin layer, using a separate measurement of the uncovered substrate. The obtained diffractogram without substrate peaks can then be used for the characterization of the microstructure of the thin layer. As an example, the method is shown to yield good results for a TiN layer deposited on a tool-steel substrate.

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.

Ten-Vertex Polyhedral Monocarbaborane Chemistry. The Novel High-Yield Formation of the Ten-Vertex closo Compound [6-(PMe2Ph)-closo-1-CB9H9] from the Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11]

1993 ◽  
Vol 58 (12) ◽  
pp. 2924-2935 ◽  
Author(s):  
Jane H. Jones ◽  
Bohumil Štíbr ◽  
John D. Kennedy ◽  
Mark Thornton-Pett
Keyword(s):  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
High Yield ◽  
Monoclinic Space Group ◽  
The Novel ◽  
X Ray Diffraction ◽  
Metal Centre ◽  
X Ray ◽  
Yield Formation ◽  
Boiling Toluene

Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11] in boiling toluene solution results in an elimination of the platinum centre and cluster closure to give the ten-vertex closo species [6-(PMe2Ph)-closo-1-CB9H9] in 85% yield as a colourles air stable solid. The product is characterized by NMR spectroscopy and single-crystal X-ray diffraction analysis. Crystals (from hexane-dichloromethane) are monoclinic, space group P21/c, with a = 903.20(9), b = 1 481.86(11), c = 2 320.0(2) pm, β = 97.860(7)° and Z = 8, and the structure has been refined to R(Rw) = 0.045(0.051) for 3 281 observed reflections with Fo > 2.0σ(Fo). The clean high-yield elimination of a metal centre from a polyhedral metallaborane or metallaheteroborane species is very rare.

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