scholarly journals Development of a vector algorithm of three-dimensional crystal lattice parametric identification based on estimation of the spacing between adjacent lattice planes

2017 ◽  
Vol 201 ◽  
pp. 690-697 ◽  
Author(s):  
Alexandr Shirokanev ◽  
Dmitriy Kirsh ◽  
Alexandr Kupriyanov
Keyword(s):  
Crystal Lattice ◽  
Three Dimensional ◽  
Parametric Identification ◽  
Lattice Planes ◽  
Dimensional Crystal

scholarly journals A method for extracting crystal grain boundary using three-dimensional crystal lattice model

2009 ◽  
Vol 29-1 (2) ◽  
pp. 1103-1103
Author(s):  
Tomoko ENDO ◽  
Naomichi SAKAMOTO ◽  
Takuya YASUNO ◽  
Naoki MUKAWA
Keyword(s):  
Grain Boundary ◽  
Crystal Lattice ◽  
Lattice Model ◽  
Three Dimensional ◽  
Dimensional Crystal

scholarly journals Algorithm of reconstruction of a three-dimensional crystal structure from two-dimensional projections

2019 ◽  
Vol 43 (2) ◽  
pp. 324-331 ◽  
Author(s):  
D.V. Kirsh ◽  
A.S. Shirokanev ◽  
A.V. Kupriyanov
Keyword(s):  
Crystal Lattice ◽  
Three Dimensional ◽  
Analytical Calculation ◽  
Reconstruction Error ◽  
Identification Accuracy ◽  
Two Dimensional ◽  
Reconstruction Algorithms ◽  
Total Reconstruction ◽  
Dimensional Crystal

The article deals with a problem of three-dimensional crystal lattice reconstruction, which is an important stage in the X-ray structural analysis. The accuracy of parametric and structural identification of crystals directly depends on the quality of crystal lattice reconstruction. The proposed algorithm of reconstruction of a three-dimensional crystal lattice is based on minimizing the distances from each node to a line projected onto a specified plane. Three sets of two-dimensional node coordinates, obtained from three two-dimensional projections, are used as input data. We performed an analytical calculation of the reconstruction error, allowing the total reconstruction accuracy to be estimated. The results of computational experiments confirmed the high quality of the proposed reconstruction algorithms and its stability against the distortion of node coordinates. In addition, we revealed a problem of lattice system separability, with the identification accuracy for monoclinic, rhombic and tetragonal systems found to be 34%, 53% and 10%, respectively.

scholarly journals Moving an atom by swapping places across a crystal lattice without vacancies

2021 ◽  
Vol 2056 (1) ◽  
pp. 012023
Author(s):  
V I Askerova ◽  
E V Kalashnikov
Keyword(s):  
Crystal Lattice ◽  
Three Dimensional ◽  
One Dimensional ◽  
Dimensional Crystal

Abstract The mechanism of moving an atom through a crystal lattice without vacancies is considered. This situation can be observed when all sites of the lattice are occupied by atoms of the same type, or when some of them are occupied by isotopes of the same atoms. It is shown that in a three-dimensional crystal lattice constructed from identical atoms without vacancies, one-dimensional motion of the own atom along the lattice chain is possible. This movement is realized as a Frenkel-Kontorova soliton.

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