Defects, Sound Damping, and the Boson Peak in Amorphous Solids.

IF 2.9 2区 化学 Q3 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry B Pub Date : 2025-02-13 Epub Date: 2025-02-04 DOI:10.1021/acs.jpcb.4c07545
Elijah Flenner, Grzegorz Szamel
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Abstract

Two nearly universal and anomalous properties of glasses, the peak in the specific heat and plateau of the thermal conductivity, occur around the same temperature. This coincidence suggests that the two phenomena are related. Both effects can be rationalized by assuming Rayleigh scaling of sound attenuation and this scaling leads one to consider scattering from defects. Identifying defects in glasses, which are inherently disordered, is a long-standing problem that was approached in several ways. We examine candidates for defects in glasses that represent areas of strong sound damping. We show that some defects are associated with quasi-localized excitations, which may be associated with modes in excess of the Debye theory. We also examine generalized Debye relations, which relate sound damping and the speed of sound to excess modes. We derive a generalized Debye relation that does not resort to an approximation used by previous authors. We find that our relation and the relation given by previous authors are almost identical at small frequencies and also reproduce the independently determined density of states. However, the different generalized Debye relations do not agree around the boson peak. While generalized Debye relations accurately predict the boson peak in two-dimensional glasses, they underestimate the boson peak in three-dimensional glasses.

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非晶固体中的缺陷、声阻尼和玻色子峰。
玻璃的两个几乎普遍和反常的性质,即比热峰和导热平台,都发生在同一温度附近。这种巧合表明这两种现象是有联系的。这两种效应都可以通过假设声衰减的瑞利标度来合理化,这种标度导致人们考虑来自缺陷的散射。识别先天无序的眼镜缺陷是一个长期存在的问题,有几种方法可以解决。我们检查候选的缺陷在玻璃,代表强声阻尼区域。我们证明了一些缺陷与准局域激发有关,这可能与超出德拜理论的模态有关。我们还研究了广义德拜关系,它将声阻尼和声速与过量模态联系起来。我们推导了一个广义的德拜关系,它不依赖于以前作者使用的近似。我们发现我们的关系式和先前作者给出的关系式在小频率下几乎是相同的,并且也再现了独立确定的态密度。然而,不同的广义德拜关系在玻色子峰周围并不一致。虽然广义德拜关系准确地预测了二维玻璃中的玻色子峰,但它们低估了三维玻璃中的玻色子峰。
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来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
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