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![Topological family Mg 2 Zn 4 : crystallochemical data on binary and ternary intermetallic compounds [3, 4]](profile/G-Ilyushin/publication/326829245/figure/tbl1/AS:671744322985993@1537167735510/Topological-family-Mg-2-Zn-4-crystallochemical-data-on-binary-and-ternary.png)
Topological family Mg 2 Zn 4 : crystallochemical data on binary and ternary intermetallic compounds [3, 4]
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A geometrical and topological analysis of intermetallic compounds A 2[16]B 4[12] of the Friauf families Mg2Cu4 (formed in 273 binary and 775 ternary systems) and Mg2Zn4 (formed in 67 binary and 121 ternary systems) has been performed. Basic 3D nets are determined in the form of a graph, whose sites correspond to the centers of tetrahedral cluster p...
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... This group of structural materials exhibit intermediate properties between ceramics and metals. A number of highly ordered intermetallic compounds stable up to melting point are formed in the Al-Fe [6][7][8], Al-Co [2,9,10], Al-Ru [11] and Al-Ni [1,12] and multicomponent systems [13][14][15]. Among them, Al-Ni system should be highlighted. ...
Aluminum-nickel (Al-Ni) based intermetallic compounds are regarded as the promising materials for the high-temperature engineering applications, including harsh environments. So far, a satisfactory modeling has been done to analyze the structural properties, heats of formation, elastic properties and electronic energy band structures of AlNi intermetallic compounds. However, the experimental studies on Al-Ni intermetallic compounds formation and the data on the structure and mechanical properties are fragmentary in the literature. In the present work, the intermetallic compounds in Al-Ni system were obtained from nanonickel powder and micron-sized aluminum powders for the first time using modified powder metallurgy technique. Phase formation and structures of powders and consolidated materials were investigated via XRD, SEM, EDX and hydrostatic weighting. Via XRD it was shown, that despite the strong interactions between Ni and Al the formation of intermetallic compounds in the system is hindered. The density of consolidated specimens increases with nickel content increase. The sample 10nNi with the highest content of Al3Ni showed the best mechanical properties among the other specimens: Due to the reinforcement effect of the intermetallic compound, the sample with the highest content of Al3Ni showed the microhardness of 161±39 HV. © O.Y. Kurapova, I.V. Smirnov, E.N. Solovyeva, Y.V. Konakov, T.E. Lomakina, A.G. Glukharev, V.G. Konakov, 2022.
... This study represents a follow-up of [14][15][16][17][18][19][20][21][22] with respect to simulating the processes of self-organization of systems on a suprapolyhedral level and the geometric and topological analysis of crystal structures by advanced computer methods. ...
A combinational-topological analysis and simulation of the crystal structure of Na26K8Ga104-hR414, R\(\bar {3}\)m, V = 8109 ų are performed by computer methods (the TOPOS software package). The framework-forming 124-atom three-layered icosahedral nanocluster ico-K124 = 0@12(Ga12)@32(Ga12Na20)@80(Ga60Na6K14) with a diameter of 17 Å and the symmetry g = \(\bar {3}\) is established by the method of the complete decomposition of a 3D atomic lattice into cluster structures. The second shell corresponds to the Bergman cluster with 32, 90, and 60 peaks, edges, and faces, respectively. The chemical composition of the shell is Ga12Na20. The third shell consisting of 80 atoms is characterized by 80, 210, and 132 peaks, edges, and faces, respectively. The chemical composition of the shell is made up of Ga60Na6K14. Sixty atoms of Ga in the shell are located in the same manner as 60 carbon C atoms in the fullerene С60. All 20 positions above the Ga6 hexagons are occupied by 6 Na atoms and 14 K atoms. The symmetry and topological code of the self-assembly of 3D structures from iсo-K143 nanoclusters-precursors are simulated in the following form: primary chain → layer → framework. iсo-K124 nanoclusters form densely packed 2D layers 3⁶. The large voids in the 3D framework are occupied by 10-atom GaGa9 clusters with the symmetry g = 3m.
С помощью компьютерных методов (пакет программ ToposPro) осуществлен комбинаторно-топологический анализ и моделирование самосборки кристаллических структур Zr 72 P 36 - oS 108 ( a = 29.509 Å, b = 19.063 Å, c = 3.607 Å, V = 2029.49 Å 3 , Cmmm ), Zr 18 Ni 22 - tI 40 ( a = b = 9.880 Å, c = 6.610 Å, V = 645.23 Å 3 , I 4/ m . Zr 4 Ni 4 - oS 8 ( a = 3.271 Å, b = 9.931 Å, c = 4.107 Å, V = 133.43 Å 3 , Cmcm . Для кристаллической структуры Zr 72 P 36 - oS 108 установлены 40 вариантов кластерного представления 3D атомной сетки с числом структурных единиц 5, 6, 7. Определены структурные единицы в виде пирамиды K 5 = 0@PZr 4 , тетраэдра K 4 = 0@Zr 4 , супратетраэдра K 9 = Zr(Zr 4 P 4 ) из четырех связанных тетраэдров. Для кристаллической структуры Zr 18 Ni 22 - tI 40 также определены супратетраэдры K 9 = Ni(Zr 4 Ni 4 ). Для кристаллической структуры Zr 4 Ni 4 - oS 8 определен кластер-прекурсор в виде тетраэдра K 4 = Zr 2 Ni 2 . Реконструирован симметрийный и топологический код процессов самосборки 3D структур из кластеров-прекурсоров в виде: первичная цепь → слой → каркас.
