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二元磷酸盐玻璃中拓扑涨落与中间相的统计力学模型

Statistical Mechanical Model of Topological Fluctuations and the Intermediate Phase in Binary Phosphate Glasses.

作者信息

Kirchner Katelyn A, Bødker Mikkel S, Smedskjaer Morten M, Kim Seong H, Mauro John C

机构信息

Department of Chemistry and Bioscience, Aalborg University, 9220 Aalborg, Denmark.

出版信息

J Phys Chem B. 2019 Sep 5;123(35):7640-7648. doi: 10.1021/acs.jpcb.9b05932. Epub 2019 Aug 22.

Abstract

Glasses are topologically disordered materials with varying degrees of fluctuations in structure and topology. This study links statistical mechanics and topological constraint theory to quantify the degree of topological fluctuations in binary phosphate glasses. Because fluctuations are a potential mechanism enabling self-organization, we investigated the ability of phosphate glasses to adapt their topology to mitigate localized stresses, e.g., in the formation of a stress-free intermediate phase. Results revealed the dependency of both glass composition and temperature in governing the ability of a glass network to relax localized stresses and achieve an ideal, isostatic state; also, the possibility of a second intermediate phase at higher modifier content was found.

摘要

玻璃是拓扑无序材料,其结构和拓扑存在不同程度的波动。本研究将统计力学与拓扑约束理论联系起来,以量化二元磷酸盐玻璃中拓扑波动的程度。由于波动是实现自组织的一种潜在机制,我们研究了磷酸盐玻璃调整其拓扑结构以减轻局部应力的能力,例如在形成无应力中间相的过程中。结果揭示了玻璃成分和温度在控制玻璃网络缓解局部应力并达到理想等静压状态能力方面的依赖性;此外,还发现了在较高改性剂含量下存在第二中间相的可能性。

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