Statistical Mechanical Model of Topological Fluctuations and the Intermediate Phase in Binary Phosphate Glasses
Statistical Mechanical Model of Topological Fluctuations and the Intermediate Phase in Binary Phosphate Glasses
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二元磷酸盐玻璃中拓扑涨落和中间相的统计力学模型
DOI：
10.1021/acs.jpcb.9b05932
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Mauro, John C.
中科院分区：
文献类型：
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作者：
Kirchner, Katelyn A.;Bødker, Mikkel S.;Smedskjaer, Morten M.;Kim, Seong H.;Mauro, John C.
玻璃是一种拓扑无序的材料，在结构和拓扑上有不同程度的波动。本研究将统计力学和拓扑约束理论相结合，对二元磷酸盐玻璃的拓扑涨落程度进行了量化。由于涨落是一种潜在的自组织机制，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。结果表明，在控制玻璃网络松弛局部应力和达到理想的均衡状态的能力方面，玻璃成分和温度都是依赖的；此外，还发现在较高的改性剂含量下存在第二中间相的可能性。
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.