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It is textbookly regarded that phonons, i.e., an energy quantum of propagating lattice waves, are the main heat carriers in perfect crystals. As a result, in many crystals, e.g., bulk silicon, the temperature-dependent thermal conductivity…

材料科学 · 物理学 2020-09-18 Yanguang Zhou , Yufei Gao , Sebastian Volz

In amorphous solids, a non-negligible part of thermal conductivity results from phonon scattering on the structural disorder. The conversion of acoustic energy into thermal energy is often measured by the Dynamical Structure Factor (DSF)…

无序系统与神经网络 · 物理学 2018-09-12 Y. M. Beltukov , D. A. Parshin , V. Giordano , A. Tanguy

Within the framework of the unified theory thermal transport model, the competing contributions of coherent and incoherent terms create a trade-off relationship, posing substantial challenges to achieving a reduction in overall $\rm…

材料科学 · 物理学 2025-04-04 Wenjie Xiong , Hao Huang , Yu Wu , Xinji Xu , Geng Li , Zonglin Gu , Shuming Zeng

Metal-organic frameworks (MOFs) are a family of materials that have high porosity and structural tunability and hold great potential in various applications, many of which requiring a proper understanding of the thermal transport…

材料科学 · 物理学 2023-08-04 Penghua Ying , Ting Liang , Ke Xu , Jin Zhang , Jianbin Xu , Zheng Zhong , Zheyong Fan

Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acenes, where an increasing number of rings per molecule leads to…

材料科学 · 物理学 2024-12-09 Lukas Legenstein , Lukas Reicht , Sandro Wieser , Michele Simoncelli , Egbert Zojer

Layered conductive metal-organic frameworks (LCMOFs) show great promise in energy and electronics due to their high electrical conductivity and tunable pore structures. They are considered ideal "phonon-glass, electron-crystal" materials.…

Metal-organic frameworks (MOFs) are crystalline materials consisting of metal centers and organic linkers forming open and porous structures. They have been extensively studied due to various possible applications exploiting their large…

材料科学 · 物理学 2019-11-20 Tomas Kamencek , Natalia Bedoya-Martínez , Egbert Zojer

To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…

材料科学 · 物理学 2007-05-23 A. J. H. McGaughey , M. I. Hussein , E. S. Landry , M. Kaviany , G. M. Hulbert

Thermal properties of covalent organic frameworks (COFs) are of fundamental interest owing to exceptional heat conduction properties. Recent studies have suggested that their thermal conductivities can be enhanced by multiple factors such…

材料科学 · 物理学 2025-07-31 Sungjae Kim , Taeyong Kim

Phonon engineering technology has opened up the functional thermal management of semiconductor-based classical and quantum electronics at the micro- and nanoscales. However, challenges have remained in designing accurate thermal…

介观与纳米尺度物理 · 物理学 2025-09-17 Keita Funayama , Yuki Akura , Hiroya Tanaka , Jun Hirotani

Topological phonon states in crystalline materials have attracted significant research interests due to their importance for fundamental physical phenomena, yet their implication on phonon thermal transport remains largely unexplored. Here,…

计算物理 · 物理学 2024-03-29 Xin Jin , Da-shuai Ma , Peng Yu , Xianyong Ding , Rui Wang , Xuewei Lv , Xiaolong Yang

Due to the rapid development of micro- and nano-manufacturing and electronic devices, heat transfer at the transition regime between radiation and conduction becomes increasingly important. Recent work has demonstrated the importance of…

介观与纳米尺度物理 · 物理学 2026-05-29 Wei-Zhe Yuan , Yangyu Guo , Hong-Liang Yi

Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional…

Understanding the fundamental link between structure and functionalization is crucial for the design and optimization of functional materials, since different structural configurations could trigger materials to demonstrate diverse…

材料科学 · 物理学 2024-01-30 Linfeng Yu , Kexin Dong , Qi Yang , Yi Zhang , Xiong Zheng , Huimin Wang , Zhenzhen Qin , Guangzhao Qin

We propose a novel design principle for achieving ultralow thermal conductivity in crystalline materials via a "heavy-light and soft-stiff" structural motif. By combining heavy and light atomic species with soft and stiff bonding networks,…

材料科学 · 物理学 2025-08-26 Yu Wu , Ying Chen , Shuming Zeng , Hao Zhang , Liujiang Zhou , Chenhan Liu , Su-Huai Wei

Thermal phonon transport in square- and triangular-lattice Si phononic crystal (PnC) nanostructures with a period of 300 nm was investigated by measuring the thermal conductivity using micrometer-scale time-domain thermoreflectance. The…

介观与纳米尺度物理 · 物理学 2015-05-22 Junki Nakagawa , Yuta Kage , Takuma Hori , Junichiro Shiomi , Masahiro Nomura

Thermal transport in solids changes its nature from phonon propagation that suffers from perturbative scattering to thermally activated hops between localized vibrational modes as the level of disorder increases. Models have been proposed…

材料科学 · 物理学 2015-08-13 Yanlei Wang , Zhigong Song , Zhiping Xu

The heat transfer properties of the organic molecular crystal ${\alpha}$-RDX were studied using three phonon-based thermal conductivity models. It was found that the widely used Peierls-Boltzmann model for thermal transport in crystalline…

材料科学 · 物理学 2020-07-20 Gaurav Kumar , Francis G. VanGessel , Daniel C. Elton , Peter W. Chung

Controlling the transport of thermal energy is key to most applications of metal-organic frameworks. Analyzing the evolution of the effective local temperature, the interfaces between the metal nodes and the organic linkers are identified…

Boundary-engineering in nanostructures has the potential to dramatically impact the development of materials for high-efficiency conversion of thermal energy directly into electricity. In particular, nanostructuring of semiconductors can…

材料科学 · 物理学 2016-10-04 Giuseppe Romano , Alexie M. Kolpak
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