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Local structure of liquids Al2O3 and GeO2 under densification

机译:致密化下液态Al2O3和GeO2的局部结构

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摘要

Molecular dynamic simulation has been conducted to study the local structure of liquid Al2O3 and GeO2 under densification. Those liquids are found to be a mixture of species of TOx. Here T is Ge or Al and x = 4, 5 and 6. This result is supported by the fact that the density, fraction of oxygen connectivity and volume of different void kinds are a linear function of TOx fraction. The microscopic mechanism of liquid densification is quantified and interpreted in term of the change in TOx fraction. (C) 2008 Elsevier B.V. All rights reserved.
机译:进行了分子动力学模拟,研究了致密化过程中液态Al2O3和GeO2的局部结构。发现这些液体是多种TOx的混合物。这里T是Ge或Al,x = 4、5和6。这一事实得到以下事实的支持:密度,氧连接性分数和不同空隙种类的体积是TOx分数的线性函数。液体致密化的微观机制是根据TOx分数的变化进行量化和解释的。 (C)2008 Elsevier B.V.保留所有权利。

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