压力诱导的顽火辉石(MgSiO3)和Forsterite (Mg2SiO4)玻璃状网络

Nguyen Hoang Anh, N. H. Son, Nguyen Van Hong
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引用次数: 0

摘要

这项工作的目的是集中在玻璃网络分析和可视化集群和子网的形成,丰富的键,边和面共享连接集。结果表明,聚合度与键的形成有明显的相关性。计算了SiOx簇的分布,确定了聚合特性和富镁区。还研究了bo、nbo和fo的分布,以证明Mg2+融入- si - o -网络的行为。多面体单元、聚类和子网生动地可视化,以便更好地理解聚类合并。此外,我们还明确了Si-Si和Mg-Si物种之间的边共享和面共享子网/网络的分布。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Pressure-induced Glassy Networks of Enstatite (MgSiO3) and Forsterite (Mg2SiO4)
This work is designed to focus on the glassy network analysis and visualizing the cluster and subnets formation, the rich set of bond-, edge- and face-sharing linkages. The correlation between the degree of polymerization and linkages forming is apparently indicated. The distribution of SiOx clusters is computed to determine the polymerization characteristic and Mg-rich region. The distribution of BOs, NBOs and FOs also are investigated to prove the behavior of Mg2+ incorporating into the -Si-O- network. Polyhedral units, clusters, and subnets are vividly visualized so as to have a better understanding of cluster merging. Besides, in this work we have also clarified the distribution of edge-sharing and face-sharing subnets/network between Si-Si and Mg-Si species.  
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