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Issue Information
International Journal of Applied Glass Science ( IF 2.1 ) Pub Date : 2020-12-03 , DOI: 10.1111/ijag.15789


Cover Photograph: Representative arrangements of 2‐ (L) and 3‐rings (R), in the near‐surface (top 12 Å) region for a 60SiO2.20Al2O3.20CaO (60:20:20) glass, from molecular dynamics simulations. There is little obvious sign of clustering of the rings, that is the distribution is largely homogeneous. Most 2‐rings are Al‐Al; no Si‐Si edge‐shared tetrahedra are seen, though there are a few Si‐Al 2‐rings. The simulations reveal higher concentrations of both 2‐ and 3‐rings in the surface, compared to the bulk, structure, for all compositions studied. In 60:20:20 composition, however, a maximum in 2‐ring and a minimum in 3‐ring surface relative enrichment were found. These extrema coincide with an observed maximum in electronegative contact charging behavior at this composition, as a function of silica content [https://doi.org/10.1111/ijag.15794].
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中文翻译:

发行信息

封面照片:通过分子动力学模拟,在60SiO2.22Al2O3.20CaO(60:20:20)玻璃的近表面(顶部12Å)区域中2个(L)和3个环(R)的代表性布置。环几乎没有聚集的迹象,即分布在很大程度上是均匀的。大多数2环是Al-Al。尽管有少量的Si-Al 2环,但没有看到Si-Si边缘共享的四面体。模拟显示,与所研究的所有成分的体积,结构相比,表面的2和3环浓度更高。但是,在60:20:20的组成中,发现2环最大,而3环表面相对富集最小。这些极值与该组成下所观察到的最大负电接触行为一致,这是二氧化硅含量的函数[https://doi.org/10.1111/ijag.15794]。
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更新日期:2020-12-04
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