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Disorder classification of the vibrational spectra of modern glasses
Physical Review B ( IF 3.7 ) Pub Date : 2021-10-22 , DOI: 10.1103/physrevb.104.134106
Zhiwen Pan 1 , Omar Benzine 1 , Shigeki Sawamura 2 , Rene Limbach 1 , Akio Koike 2 , Thomas D. Bennett 3 , Gerhard Wilde 4 , Walter Schirmacher 5, 6 , Lothar Wondraczek 1, 7
Affiliation  

Using the coherent-potential approximation in heterogeneous-elasticity theory with a log-normal distribution of elastic constants for the description of the Raman spectrum and the temperature dependence of the specific heat, we are able to reconstruct the vibrational density of states and characteristic descriptors of the elastic heterogeneity of a wide range of glassy materials. These descriptors are the nonaffine contribution to the shear modulus, the mean-square fluctuation of the local elasticity, and its correlation length. They enable a physical classification scheme for disorder in modern, industrially relevant glass materials. We apply our procedure to a broad range of real-world glass compositions, including metallic, oxide, chalcogenide, hybrid, and polymer glasses. Universal relationships between the descriptors on the one side, and the height and frequency position of the boson peak, the Poisson ratio and the liquid fragility index on the other side are established.

中文翻译:

现代眼镜振动光谱的无序分类

使用异质弹性理论中的相干势近似和弹性常数的对数正态分布来描述拉曼光谱和比热的温度依赖性,我们能够重建状态的振动密度和特征描述子各种玻璃材料的弹性异质性。这些描述符是对剪切模量的非仿射贡献、局部弹性的均方波动及其相关长度。它们为现代工业相关玻璃材料中的无序提供了物理分类方案。我们将我们的程序应用于广泛的现实世界玻璃成分,包括金属玻璃、氧化物玻璃、硫属化物玻璃、混合玻璃和聚合物玻璃。一方面描述符之间的普遍关系,
更新日期:2021-10-22
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