Article
Multidisciplinary Sciences
Zhe Cheng, Ruiyang Li, Xingxu Yan, Glenn Jernigan, Jingjing Shi, Michael E. Liao, Nicholas J. Hines, Chaitanya A. Gadre, Juan Carlos Idrobo, Eungkyu Lee, Karl D. Hobart, Mark S. Goorsky, Xiaoqing Pan, Tengfei Luo, Samuel Graham
Summary: Localized interfacial phonon modes have been observed at a high-quality epitaxial Si-Ge interface at around 12 THz, which significantly contribute to the total thermal boundary conductance. Through molecular dynamics simulations and experimental validation, the impact of these interfacial phonon modes on total thermal boundary conductance has been revealed.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Qichen Song, Gang Chen
Summary: The study reveals that diffuse phonon scattering by a single disordered interface cannot erase the memory of the phonon's origin, limiting the applicability of the diffuse mismatch model. An analytical expression for diffuse scattering probability based on the continuum approximation is derived and shown to work reasonably well at low frequencies.
Article
Materials Science, Multidisciplinary
Santiago Gimenez de Castro, Aires Ferreira, D. A. Bahamon
Summary: In recent years, Chebyshev polynomial expansions have been applied to study the spectral and transport properties of materials. However, the application of the Chebyshev approach to quantum transport properties of noninteracting mesoscopic systems with leads has been hindered by the lack of a suitable Chebyshev expansion of Landaeur's formula. Here, a hybrid approach combining Chebyshev expansions with complex absorbing potentials is used to calculate the conductance of two-terminal devices, demonstrating its versatility in studying mesoscopic twisted bilayer graphene devices.
Article
Chemistry, Physical
Hengrui Yang, Weitang Li, Jiajun Ren, Zhigang Shuai
Summary: This study proposes a nearly exact method to evaluate the time-dependent current and occupation number in a molecular junction with strong electron-phonon coupling. The oscillation period and amplitude of the current are found to be dependent on the electron-phonon coupling strength and energy level alignment. A new approximation is introduced to explain the bistability phenomenon and steady currents in the strong electron-phonon coupling regime, and comparisons are made with other methods. The entropy of different orderings is also explored, and the thermal Bogoliubov transformation is used for finite-temperature analysis.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Multidisciplinary Sciences
Qinshu Li, Fang Liu, Song Hu, Houfu Song, Susu Yang, Hailing Jiang, Tao Wang, Yee Kan Koh, Changying Zhao, Feiyu Kang, Junqiao Wu, Xiaokun Gu, Bo Sun, Xinqiang Wang
Summary: This study reveals that even for materials with similar Debye temperatures, a significant portion of phonons can transport inelastically across interfaces at high temperatures, greatly enhancing the interface thermal conductance. The sharpness of the interface strongly affects the phonon transport process. These findings provide new insights and opportunities for engineering interface thermal conductance in microelectronics materials.
NATURE COMMUNICATIONS
(2022)
Review
Chemistry, Multidisciplinary
Hoon Kim, Gimin Park, Sungjin Park, Woochul Kim
Summary: This review summarizes recent efforts in manipulating phonon transport in solids by modifying phonon thermal conductivity and conductance. Various strategies for tuning thermal conductivity and conductance are discussed, including impacting phonon group velocity and mean free path.
Article
Nanoscience & Nanotechnology
Yun Dong, Yusong Ding, Zhiyuan Rui, Fangming Lian, Weibin Hui, Jie Wu, Zhiguo Wu, Pengxun Yan
Summary: Controlling friction force and thermal conductance at solid/solid interface is achieved by modifying the atomic mass of contact materials to control the matching degree of phonon spectra at the interface. Increasing atomic mass decreases the cutoff frequency of phonon spectrum, allowing enhanced phonon transmission at the interface.
Article
Chemistry, Physical
Eric Osei-Agyemang, Ganesh Balasubramanian
Summary: This paper presents a detailed analysis of the lattice thermal conductance of 2D β-SiC7, revealing its anisotropic thermal transport and significantly lower thermal conductivity compared to graphene due to the presence of silicon atoms. The analysis also highlights the phonon group velocities and carrier lifetimes of different modes in the material, suggesting that nanostructuring may reduce the thermal conductance and enhance the material's thermoelectric efficiency.
Article
Materials Science, Multidisciplinary
T. J. Sjostrand, F. Aryasetiawan
Summary: The magnon-phonon interaction plays a key role in spin caloritronics and acoustic spintronics. This study integrates the magnon-phonon interaction into first-principles many-body electronic structure theory by deriving the exchange contribution using Schwinger functional derivatives. By developing a formalism based on crossing-symmetric electron-electron interaction, the coupling between phonons and electronic structure is treated equally. The results show that the magnon-phonon interaction enters through the magnon-magnon interaction and affects the behavior of magnons.
Article
Nanoscience & Nanotechnology
Ziyang Wang, Fangyuan Sun, Zihan Liu, Libing Zheng, Dazheng Wang, Yanhui Feng
Summary: In this study, the effect of interfacial roughness on the thermal boundary conductance (TBC) between copper and diamond is investigated using molecular dynamics simulations and time-domain thermoreflectance experiments. It is found that a rough interface improves thermal transport efficiency and increases TBC by 5.5 times compared to a flat interface. The phonon scattering probability increases with roughness and stabilizes gradually. Experimental measurements using time-domain thermoreflectance confirm the results of the simulations. This study provides a theoretical and experimental basis for roughness modification in interfacial thermal management and suggests a new approach for enhancing the thermal conductivity of composites.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Xinglin Xiao, Yali Mao, Biwei Meng, Guoliang Ma, Kristina Husekova, Fridrich Egyenes, Alica Rosova, Edmund Dobrocka, Peter Elias, Milan Tapajna, Filip Gucmann, Chao Yuan
Summary: Different phases of Ga2O3 have distinct thermal transport properties. The thermal conductivity (TC) of alpha-Ga2O3 is larger than that of beta and kappa-Ga2O3, while the TC of bulk alpha and beta-Ga2O3 are similar. The thermal boundary conductance (TBC) at the Ga2O3/sapphire interface shows phase-dependence. This study provides insight into the phonon transport mechanism and contributes to the thermal management of Ga2O3-based devices.
Article
Materials Science, Multidisciplinary
Takuro Tokunaga, Masao Arai, Kazuaki Kobayashi, Wataru Hayami, Shigeru Suehara, Takuma Shiga, Keunhan Park, Mathieu Francoeur
Summary: In this study, phonon transport across a vacuum gap between intrinsic silicon crystals was predicted using the three-dimensional atomistic Green's function method combined with first-principles calculations based on the density functional theory. It was found that phonon transport, dominated by acoustic modes, surpasses near-field radiation for vacuum gaps smaller than approximately 1 nm, and follows a power law of d-11.9 +/- 1.2. The study also revealed that the weak covalent interaction between the silicon surfaces, generated by the overlapping electron wave functions in the vacuum gap, provides a pathway for phonons. The first-principles-based approach proposed in this paper is critical for accurately quantifying the contribution of phonon transport to heat transfer in the extreme near field.
Article
Chemistry, Physical
Natalya A. A. Zimbovskaya, Abraham Nitzan
Summary: In this study, the effect of chain configuration on phonon heat transport in a single polymer chain is analyzed theoretically based on recent molecular dynamic simulations. It is found that when the chain is strongly compressed and tangled, multiple random bends act as scattering centers for vibrational phonon modes, resulting in diffusive heat transport. As the chain straightens up, the number of scatterers decreases and the heat transport becomes more ballistic. A model of a long atomic chain is introduced to simulate the changes in chain configuration, and the phonon thermal conductance exhibits a threshold-like transition from diffusive to ballistic transport as the scatterers are gradually removed.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Kazuki Okazawa, Yuta Tsuji, Kazunari Yoshizawa
Summary: In this study, the conduction properties of a single-molecular junction were investigated using Sachs graph theory, focusing on the impact of heteroatoms replacing carbon atoms in hydrocarbons. The conductive behavior of molecular junctions consisting of heterocyclic six-membered rings was analyzed based on the enumerated number of walks.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Zequn Wang, Meng An, Kunliang Zhang, Dongsheng Chen, Xuhui Sun, Xin Wang, Yuejin Yuan, Junwen Shi, Jianchun Wu
Summary: Developing semiconducting materials with suitable band gap for next-generation electronic devices has become a hot research topic. The newly synthesized monolayer carbon boron (C3B) material, with outstanding electronic properties and indirect bandgap, shows promise as an alternative to graphene. This study investigates the thermal conductivity of monolayer C3B and graphene, as well as interfacial phonon transport across heterointerfaces. The reduced thermal conductivity of C3B compared to graphene is attributed to the decreased phonon group velocity and phonon relaxation time caused by the introduction of periodic boron atoms in the C3B sheet. The study also discusses the influences of temperature and strain on the thermal conductivity of C3B, and analyzes the thermal transport across graphene|C3B heterointerfaces at different temperatures. These findings provide insights for understanding the thermal transport properties of two-dimensional materials and have potential implications for the design of thermal management and thermoelectric materials.
SURFACES AND INTERFACES
(2023)
Article
Physics, Applied
Shenghong Ju, Xingang Liang
APPLIED PHYSICS LETTERS
(2015)
Article
Chemistry, Physical
Shenghong Ju, Bruno Palpant, Yann Chalopin
JOURNAL OF PHYSICAL CHEMISTRY C
(2017)
Article
Materials Science, Multidisciplinary
Thaer M. Dieb, Shenghong Ju, Kazuki Yoshizoe, Zhufeng Hou, Junichiro Shiomi, Koji Tsuda
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
(2017)
Article
Physics, Multidisciplinary
Shenghong Ju, Takuma Shiga, Lei Feng, Zhufeng Hou, Koji Tsuda, Junichiro Shiomi
Article
Multidisciplinary Sciences
Masaki Yamawaki, Masato Ohnishi, Shenghong Ju, Junichiro Shiomi
Article
Physics, Applied
Jun Liu, Shenghong Ju, Yifu Ding, Ronggui Yang
APPLIED PHYSICS LETTERS
(2014)
Article
Thermodynamics
Shenghong Ju, Xingang Liang
INTERNATIONAL JOURNAL OF THERMOPHYSICS
(2014)
Article
Physics, Applied
Shenghong Ju, Xingang Liang
JOURNAL OF APPLIED PHYSICS
(2012)
Article
Physics, Applied
Sheng-Hong Ju, Xin-Gang Liang
JOURNAL OF APPLIED PHYSICS
(2013)
Article
Chemistry, Multidisciplinary
John T. Gaskins, George Kotsonis, Ashutosh Giri, Shenghong Ju, Andrew Rohskopf, Yekan Wang, Tingyu Bai, Edward Sachet, Christopher T. Shelton, Zeyu Liu, Zhe Cheng, Brian M. Foley, Samuel Graham, Tengfei Luo, Asegun Henry, Mark S. Goorsky, Junichiro Shiomi, Jon-Paul Maria, Patrick E. Hopkins
Article
Nanoscience & Nanotechnology
Xiao-Yu Sun, Hui Liu, Shenghong Ju
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2019)
Article
Materials Science, Multidisciplinary
Lei Feng, Takuma Shiga, Haoxue Han, Shenghong Ju, Yuriy A. Kosevich, Junichiro Shiomi
Article
Physics, Multidisciplinary
Ju Sheng-Hong, Liang Xin-Gang
ACTA PHYSICA SINICA
(2013)
Article
Materials Science, Multidisciplinary
Shenghong Ju, Takuma Shiga, Lei Feng, Junichiro Shiomi