- PII
- 10.31857/S0132665123600176-1
- DOI
- 10.31857/S0132665123600176
- Publication type
- Status
- Published
- Authors
- Volume/ Edition
- Volume 49 / Issue number 4
- Pages
- 383-394
- Abstract
- Using computer methods (the ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of U8Ni10Al36-mC54 (a = 15.5470 Å, b = 4.0610 Å, c = 16.4580 Å, β = 120.00°, V = 899.89 Å3, C m), U20Ni26-mC46 (a = 7.660 Å, b = 13.080 Å, c = 7.649 Å, β = 108.88°, V = 725.26 Å3, C2/m), and U8Co8-cI16 (a = 6.343 Å, V = 255.20 Å3, I 213) are carried out. For the U8Ni10Al36-mC54 crystal structure, 960 variants of the cluster representation of the 3D atomic grid with the number of structural units 5, 6, and 7 are established. Six crystallographically independent structural units in the form of a pyramid K5 = 0@Al(U2Al2), pyramid K6A = 0@U(NiAl4), and pyramid K6B = 0@U(NiAl4), as well as rings K3A = 0@NiAl2, K3B = 0@NiAl2, and K3C = 0@Al3, are determined. For the U20Ni26-mC46 crystal structure, the structural units K5 = Ni(Ni2U2) and icosahedra K13= Ni@Ni6U6 are defined. For the crystal structure U2Co2-cI16, the structural units—tetrahedra K4 = U2Co2—are defined. The symmetry and topological code of the processes of self-assembly of 3D structures from clusters-precursors are reconstructed in the following form: primary chain → layer → framework.
- Keywords
- U<sub>8</sub>Ni<sub>10</sub>Al<sub>36</sub>-<i>mC</i>54 U<sub>20</sub>Ni<sub>26</sub>-<i>mC</i>46 U<sub>8</sub>Co<sub>8</sub>-<i>cI</i>16 самосборка кристаллической структуры кластерные прекурсоры <i>K</i>3 <i>K</i>4 <i>K</i>5 <i>K</i>6 <i>K</i>13
- Date of publication
- 16.09.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 2
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