Phase equilibria investigation of the Zr–Cr–Si ternary system

Luo, Liying; Wei, Chunli; Fu, Yuechun; Zhan, Yongzhong

doi:10.1016/j.jssc.2021.122130

Cited by 3 publications

(2 citation statements)

References 32 publications

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“…Combinations of different molecular silicon groups are found in 39 silicides for 15 of the 23 topological types of 0D silicon species (Table S6). In four structure types: Sc 5 Co 4 Si 10 , Er 3 Ru 4 Si 12 , IrSi-HP, and ZrCrSi 2 , there are Si···Si contacts that unite the molecular species into polymeric motifs (Figure ). Thus, in 12 Me 5 Ir 4 Si 10 (Me = rare-earth metals) crystal structures belonging to the Sc 5 Co 4 Si 10 structure type, there are silicon dumbbells 1M2-1 and squares 2M4-1, which however can be united through Si···Si contacts ( d = 3.02–3.04 Å) into a 3D substructure of the mjb topology.…”

Section: Resultsmentioning

confidence: 99%

“…Methods of uniting molecular silicon motifs by weak Si···Si contacts: (a) crystal structure of Lu 5 Ir 4 Si 10 , which belongs to the Sc 5 Co 4 Si 10 structure type; (b) crystal structure of Er 3 Ru 4 Si 12 with a fragment of the sql motif highlighted in yellow; (c) crystal structure of IrSi; (d) crystal structure of HfReSi 2 , which belongs to the ZrCrSi 2 structure type . Molecular fragments on the left are highlighted by red lines.…”

Section: Resultsmentioning

confidence: 99%

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Topological Analysis and Structural Role of Silicon Motifs in Metal Silicides

Medrish,

Solodovnikova,

Kabanov

et al. 2024

Crystal Growth & Design

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We have applied a combination of topological models and methods to analyze and classify 1464 crystal structures of inorganic metal silicides. To describe the connectivity of the structures, we have used the model of periodic net and arranged all structures into 112 topological types, each of which corresponds to a topologically distinct net. Separately, we have classified substructures of connected silicon atoms and distinguished 41 3-periodic, 29 2-periodic, 19 1-periodic, and 23 molecular motifs. We have found honeycomb and squarelattice 2-periodic motifs to be templates for assembling more complicated 2-periodic and 3periodic silicon substructures. Topological relations between substructures of other periodicities as well as between silicides and borides were also explored. The sizes of metal atoms in the silicon environment were estimated by using their Voronoi polyhedra. Free space in the clathrate silicides was represented with the natural tiling model, and the sizes of the cages in the clathrate silicon framework were found to fit the Voronoi-estimated sizes of metal atoms. Based on this correspondence as well as on the topological relation of the clathrate and zeolite frameworks, we have generated novel hypothetical zeolitic clathrate silicides KSi 9 (zeolite FERbased) and KSi 15 (zeolite PCR-based) and proved their stability by DFT modeling. A number of topological and geometrical conditions were formulated for modeling framework silicides based on other porous motifs.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Topological Analysis and Structural Role of Silicon Motifs in Metal Silicides

Medrish,

Solodovnikova,

Kabanov

et al. 2024

Crystal Growth & Design

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Experimental investigation and thermodynamic modeling of the Cr–Zr–Si system

Huang

et al. 2023

Calphad

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Research Status of Surface Modification of Titanium-Based Alloys by Pack Cementation

Yuan

Lin

et al. 2021

Surf. Rev. Lett.

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With the continuously rapid development of materials science, better properties are equably required in the area of material surface engineering, especially the surface friction and high-temperature oxidation resistance of titanium alloy. It is a great approach to select a scientific way for surface treatment to improve the surface performance so as to obtain surface films/coatings/layers. It can provide a vital latent remedy to the insufficient high-temperature oxidation resistance and wear resistance of titanium alloys. Pack cementation is a reliable means at present by virtue of its distinct composition, covering pollution-free and the firm metallurgical bonding between the alloying coating and the matrix. In the last few years, with the growing demands for the surface performance of materials in multifarious harsh environments, the coating obtained by pack cementation is developing toward controlling coating composition accurately and applying it to complex parts. This review opens with an abbreviated introduction of pack cementation technology. The recent developments of pack cementation technology for enhancing diverse surface properties are scientifically reviewed in the aspects of background, previous research results and the future development directions.

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Phase equilibria investigation of the Zr–Cr–Si ternary system

Cited by 3 publications

References 32 publications

Topological Analysis and Structural Role of Silicon Motifs in Metal Silicides

Topological Analysis and Structural Role of Silicon Motifs in Metal Silicides

Experimental investigation and thermodynamic modeling of the Cr–Zr–Si system

Research Status of Surface Modification of Titanium-Based Alloys by Pack Cementation

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