Empirical method for modeling crystal lattice parameters of A2XY6 cubic crystals using grid search-based extreme learning machine

2020 ◽  
Vol 128 (18) ◽  
pp. 185106
Author(s):  
Sami M. Ibn Shamsah ◽  
Taoreed O. Owolabi
Keyword(s):  
Crystal Lattice ◽  
Extreme Learning Machine ◽  
Empirical Method ◽  
Lattice Parameters ◽  
Grid Search ◽  
Cubic Crystals ◽  
Learning Machine ◽  
Crystal Lattice Parameters

scholarly journals Magnetically Oriented Powder Crystal to Indexing and Structure Determination

2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal Lattice Parameters

In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned three-dimensionally in a polymer matrix. The X-ray diffraction of the MOMA is equivalent to that of the corresponding large single crystal, enabling the determination of the crystal lattice parameters and crystal structure of the embedded microcrytals.[1-3] Because we make use of the diamagnetic anisotropy of crystal, those crystals that exhibit small magnetic anisotropy do not take sufficient three-dimensional alignment. However, even for these crystals that only align uniaxially, the determination of the crystal lattice parameters can be easily made compared with the determination by powder diffraction pattern. Once these parameters are determined, crystal structure can be determined by X-ray powder diffraction method. In this paper, we demonstrate possibility of the MOMA method to assist the structure analysis through X-ray powder and single crystal diffraction methods. We applied the MOMA method to various microcrystalline powders including L-alanine, 1,3,5-triphenyl benzene, and cellobiose. The obtained MOMAs exhibited well-resolved diffraction spots, and we succeeded in determination of the crystal lattice parameters and crystal structure analysis.

Optical properties and crystal lattice parameters of TlGa1−xFexSe2 solid solutions

2007 ◽  
Vol 33 (1) ◽  
pp. 86-88 ◽  
Author(s):  
N. Z. Gasanov ◽  
E. M. Kerimova ◽  
A. I. Gasanov ◽  
Yu. G. Asadov
Keyword(s):  
Optical Properties ◽  
Crystal Lattice ◽  
Solid Solutions ◽  
Lattice Parameters ◽  
Crystal Lattice Parameters

scholarly journals Numerical Research of Materials Crystal Lattice Parameters Based on Rare-Earth Metals

2017 ◽  
Vol 96 ◽  
pp. 00006
Author(s):  
Artem Obkhodsky ◽  
Alexander Popov ◽  
Alexey Zolotarev ◽  
Sergey Kuznetsov ◽  
Victor Sachkov
Keyword(s):  
Rare Earth ◽  
Crystal Lattice ◽  
Rare Earth Metals ◽  
Lattice Parameters ◽  
Numerical Research ◽  
Crystal Lattice Parameters

scholarly journals On crystal lattice parameters of graphite-like phases of the B-C system

2010 ◽  
Vol 32 (4) ◽  
pp. 231-235 ◽  
Author(s):  
O. O. Kurakevych ◽  
T. Chauveau ◽  
V. L. Solozhenko
Keyword(s):  
Crystal Lattice ◽  
Lattice Parameters ◽  
Crystal Lattice Parameters

Effect of pressure on the crystal lattice parameters of CeAl2, PrAl2, YbAl2, and CeS

1980 ◽  
Vol 61 (1) ◽  
pp. K87-K90 ◽  
Author(s):  
H. Bartholin ◽  
A. Waintal ◽  
G. Parisot ◽  
F. Kervella ◽  
J. P. Senateur
Keyword(s):  
Crystal Lattice ◽  
Lattice Parameters ◽  
Effect Of Pressure ◽  
Crystal Lattice Parameters

scholarly journals Iron nanoparticle influence on the structure of improved structural steel and its properties

2020 ◽  
Vol 96 (4) ◽  
pp. 10-16
Author(s):  
Y. G. Aftandiliants ◽  
◽  
К.G. Lopatko ◽  
Keyword(s):  
Crystal Lattice ◽  
Solid Solutions ◽  
Iron Nanoparticles ◽  
High Stress ◽  
Coherent Scattering ◽  
Hardened Steel ◽  
Lattice Parameters ◽  
Subgrain Structure ◽  
Melt Temperature ◽  
Crystal Lattice Parameters

The results of the study of the effect of nanoparticles in the shell of iron oxide Fe2O3, which when injected into the melt and heated up to melt temperature is converted into oxide Fe3O4, on the microstructure of hardened and tempered steel 25GSL and its properties. It is shown that in modified steel martensite crystals thickness is reduced compared to the original steel in average 1.9 times after the quenching, tempered martensite crystal length after tempering hardened steel at 200oC - 3 times, the plate cementite length in troostite after tempering hardened steel at 450 оС – 1,4 times, the carbide length of after tempering of steel at 550 оС – 1,6 times. It has been found that modification of iron nanoparticles in a shell of Fe3O4 oxide leads to dispersion of the subgrain structure (regions of coherent scattering) and to the decrease of the crystal lattice parameters of solid solutions. The mechanism of nanoparticle influence on the reduction of the crystal lattice parameters of solid solutions, which is to accelerate the diffusion of interstitial atoms of the elements into the zones of high stress on the nanoparticles surface, is proposed. It is determined that the optimal improvement mode of the modified steel is quenching at 900 °C and tempering at 550 °C. The yield, tensile strengths and toughness of the modified steel are 894 MPa, 993 MPa and 92 J/mm2, respectively, on 62, 41 and 14% higher than the original steel. The injection of iron nanoparticles in a refractory shell into the steel melt before crystallization predetermines the effective modification and enhancement of mechanical properties. Keywords: iron nanoparticles, structure, martensite, troostite, sorbite, carbides, stresses, phase transformations.

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