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稀土大小对网络结构和二元石榴石中的玻璃形成能力的影响

Stephen K Wilke^1,2, Chris J Benmore², Randall E Youngman³

¹Materials Development, Inc., Arlington Heights, IL 60004, USA. swilke@matsdev.com.

Physical chemistry chemical physics : PCCP

|June 11, 2025

概括

稀土合金玻璃,对于光学应用至关重要,显示各种各样的玻璃形成. 亚铁石 (YbAG) 的玻璃形成能力比石 (LAG) 差,原因是边缘共享度增加和连接性较低.

科学领域:

材料科学材料科学材料科学
固态化学固态化学
玻璃科学玻璃科学

背景情况:

稀土合金玻璃对于光学,发光和激光技术至关重要.
这些材料具有复杂的原子结构和可变的玻璃形成能力.
了解结构-属性关系是优化其应用的关键.

研究的目的:

为了研究石 (LAG) 和石 (YbAG) 融的原子结构.
为了将结构上的差异与它们独特的玻璃成型能力联系起来.
阐明协调和多面体间联系在玻璃形成中的作用.

主要方法:

高能X射线衍射被用于模拟高温 (13402740 K) 的融结构.
结构模型得到了改进,并与相应玻璃的27Al核磁共振数据进行了比较.
引入了一种新的网络连接度量,K^n,用于分析融结构.

主要成果:

无论是LAG还是YbAG的融都含有AlO4,AlO5和AlO6多面体的混合物,其中YbAG具有更高的5和6协调分数.
冷却会增加La-O和Yb-O的平均协调数,而YbAG的增加较小.
与LAG相比,YbAG在Al-O多面体之间表现出更多的边缘共享联系,特别是在高温下.

结论:

由于YbAG的玻璃形成能力较低,与边缘共享度的增加以及更高协调度的种类的比例更高有关.
通过K^n分析的网络连接,在LAG和YbAG之间存在显著差异.
结构洞察力为设计具有量身定制属性的稀土合金玻璃提供了基础.

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