Quantitative Analysis and Prediction of Elastic Properties of Tungstate–Tellurite Glasses Doped with Bi2O3

IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Journal of Electronic Materials Pub Date : 2024-08-26 DOI:10.1007/s11664-024-11352-x
R. El-Mallawany, Amin Abd El-Moneim, I. Z. Hager, H. Mahfouz, H. A. Othman
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Abstract

In this work, the elastic properties of two tellurite glass series 80TeO2-(20−x)WO3-xBi2O3 (80TeWBi) and 70TeO2-(30−x)WO3-xBi2O3 (70TeWBi) (where x = 0 mol.%, 5 mol.%, and 10 mol.%) were quantitatively analyzed and predicted. Many structural and compositional parameters, including the density of network bonds, mean cross-link density, average bond-stretching force constant, total packing density, and dissociation energy per unit volume, were calculated using bond compression (BC), ring deformation (RD), and Makishima–Mackenzie (M–M) models. These parameters were correlated with experimental elastic properties to explore the structural role of WO3 and Bi2O3 in the tellurite network. It was found that WO3 enters the tellurite network of Bi2O3-free 80TeO2-20WO3 and 70TeO2-30WO3 glasses as a network former. This stiffened the structure through the formation of WO4 tetrahedral units, WO6 octahedral units, and Te–O–W linkages. As a result, the theoretical bulk modules (Kbc) increased from 73.23 GPa to 83.90 GPa whereas the theoretical Poisson's ratio decreased from 0.235 to 0.225 with increasing WO3 mol.%. Meanwhile, Bi2O3 enters the network of TeO2-WO3-Bi2O3 glasses as a network modifier. This weakens the glass structure and results in the transformation of some TeO4 trigonal bipyramids into TeO3 trigonal pyramids by breaking the Te–O–W linkages and creating non-bridging oxygen atoms. Excellent agreement was achieved between the theoretical and experimental values of elastic moduli and Poisson's ratio.

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掺杂 Bi2O3 的钨碲玻璃的定量分析和弹性特性预测
这项研究定量分析和预测了两个碲玻璃系列 80TeO2-(20-x)WO3-xBi2O3 (80TeWBi) 和 70TeO2-(30-x)WO3-xBi2O3 (70TeWBi) (其中 x = 0 mol.%、5 mol.% 和 10 mol.%)的弹性特性。利用键压缩(BC)、环变形(RD)和牧岛-麦肯锡(M-M)模型计算了许多结构和组成参数,包括网络键密度、平均交联密度、平均键拉伸力常数、总堆积密度和单位体积解离能。这些参数与实验弹性特性相关联,以探索 WO3 和 Bi2O3 在碲镉矿网络中的结构作用。研究发现,在不含 Bi2O3 的 80TeO2-20WO3 和 70TeO2-30WO3 玻璃中,WO3 作为网络前体进入了碲铁矿网络。这就通过形成 WO4 四面体单元、WO6 八面体单元和 Te-O-W 链接来硬化结构。因此,随着 WO3 摩尔百分比的增加,理论体积模数 (Kbc) 从 73.23 GPa 增加到 83.90 GPa,而理论泊松比从 0.235 下降到 0.225。同时,Bi2O3 作为网络改性剂进入 TeO2-WO3-Bi2O3 玻璃的网络。这削弱了玻璃结构,并通过断开 Te-O-W 链接和产生非桥接氧原子,使一些 TeO4 三叉二金字塔转变为 TeO3 三叉金字塔。弹性模量和泊松比的理论值与实验值非常一致。
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来源期刊
Journal of Electronic Materials
Journal of Electronic Materials 工程技术-材料科学:综合
CiteScore
4.10
自引率
4.80%
发文量
693
审稿时长
3.8 months
期刊介绍: The Journal of Electronic Materials (JEM) reports monthly on the science and technology of electronic materials, while examining new applications for semiconductors, magnetic alloys, dielectrics, nanoscale materials, and photonic materials. The journal welcomes articles on methods for preparing and evaluating the chemical, physical, electronic, and optical properties of these materials. Specific areas of interest are materials for state-of-the-art transistors, nanotechnology, electronic packaging, detectors, emitters, metallization, superconductivity, and energy applications. Review papers on current topics enable individuals in the field of electronics to keep abreast of activities in areas peripheral to their own. JEM also selects papers from conferences such as the Electronic Materials Conference, the U.S. Workshop on the Physics and Chemistry of II-VI Materials, and the International Conference on Thermoelectrics. It benefits both specialists and non-specialists in the electronic materials field. A journal of The Minerals, Metals & Materials Society.
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