Spectral attributes of sub-amorphous thermal conductivity in cross-linked organic-inorganic hybrids.,Nanoscale

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Spectral attributes of sub-amorphous thermal conductivity in cross-linked organic-inorganic hybrids.
Nanoscale ( IF 5.8 ) Pub Date : 2020-06-15 , DOI: 10.1039/d0nr02657c
Ali Morshedifard ₁ , Amir Moshiri , Konrad J Krakowiak , Mohammad Javad Abdolhosseini Qomi

Affiliation

Organic–inorganic hybrids have found increasing applications for thermal management across various disciplines. Such materials can achieve thermal conductivities below the so-called “amorphous limit” of their constituents’ thermal conductivity. Despite their technological significance, a complete understanding of the origins of this thermal conductivity reduction remains elusive in these materials. In this paper, we develop a prototypical cross-linked organic–inorganic layered system, to investigate the spectral origins of its sub-amorphous thermal conductivity. Initially, we study the atomic structure of the model and find that besides polymer chain length, the relative drift of the layers governs the reduction in computed basal spacing, in agreement with experimental measurements. We, subsequently, find that organic cross-linking results in up to 40% reduction in thermal conductivity compared to inorganic samples. An in-depth investigation of vibrational modes reveals that this reduction is the result of reduced mode diffusivities, which in turn is a consequence of a vibrational mismatch between the organic and inorganic constituents. We also show that the contribution of propagating modes to the total thermal conductivity is not affected by organic cross-linking. Our approach paves the path toward a physics-informed analysis and design of a wide range of multifunctional hybrid nanomaterials for thermal management applications among others.

中文翻译：

交联有机-无机杂化材料中亚非晶导热系数的光谱属性。

在各种学科中，有机-无机杂化材料在热管理方面的应用日益广泛。这样的材料可以获得低于其成分的热导率的所谓的“非晶极限”的热导率。尽管它们具有技术重要性，但对于这些材料的导热率降低的原因，仍缺乏全面的了解。在本文中，我们开发了一种原型交联的有机-无机层状系统，以研究其亚非晶热导率的光谱成因。最初，我们研究模型的原子结构，发现除聚合物链长外，各层的相对漂移还决定了计算的基础间距的减少，与实验测量结果一致。随后，我们发现与无机样品相比，有机交联可将热导率降低多达40％。对振动模式的深入研究表明，这种减少是模式扩散性降低的结果，而这又是有机和无机成分之间振动不匹配的结果。我们还表明，传播模式对总热导率的贡献不受有机交联的影响。我们的方法为物理信息分析和广泛设计用于热管理应用的多功能混合纳米材料铺平了道路。这又是有机和无机成分之间振动不匹配的结果。我们还表明，传播模式对总热导率的贡献不受有机交联的影响。我们的方法为物理信息分析和广泛设计用于热管理应用的多功能混合纳米材料铺平了道路。这又是有机和无机成分之间振动不匹配的结果。我们还表明，传播模式对总热导率的贡献不受有机交联的影响。我们的方法为物理信息分析和广泛设计用于热管理应用的多功能混合纳米材料铺平了道路。

更新日期：2020-07-02

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