Cluster-precursors for structure formation of Alkali Zirconosilicates in the Systems AOH-ZrO2-SiO2-H2O (A = Li-Cs): algorithm for their identification and self-assembling modeling

Cluster-precursors for structure formation of Alkali Zirconosilicates in the Systems AOH-ZrO2-SiO2-H2O (A = Li-Cs): algorithm for their identification and self-assembling modeling
复制标题

AOH-ZrO2-SiO2-H2O (A = Li-Cs) 系统中碱硅酸锆结构形成的簇前体:其识别和自组装建模算法

DOI:
10.1007/s10853-006-4646-8
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发表时间:
2006
影响因子:
4.5
通讯作者:
G. D. Ilyushin
G. D. Ilyushin
中科院分区:
材料科学3区
文献类型:
--
作者:
G. D. Ilyushin

文献摘要

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在对A、m硅酸盐结构进行组合拓扑分析的基础上,建立了AOH-ZrO2-SiO2-H2O (A - Li-Cs)热液体系晶体结构形成的模型。提出了晶体结构从超多面体结构单元(SSU不变量)连续组装的机理。建模的基础是空间对称理论、图论理论和系统的层次自组织理论。
The modeling of the crystal structure formation in hydrothermal systems AOH-ZrO2-SiO2-H2O (A - Li-Cs) was carried out on the base of combinatorial-topological analysis of the framework A,M-silicates structures. The mechanism of successive stages of the matrix assembly of the crystal structures from suprapolyhedral structural units (SSU invariants) was suggested. Modeling is based on the theory of space symmetry, graph theory and theory of hierarchic self-organization of the systems.