Article
Nanoscience & Nanotechnology
Ashutosh Giri, Ramez Cheaito, John T. Gaskins, Takanori Mimura, Harlan J. Brown-Shaklee, Douglas L. Medlin, Jon F. Ihlefeld, Patrick E. Hopkins
Summary: Experimental results show that thermal resistance may not increase with the addition of confined solid-solution films of varying thicknesses between parent materials. This contradicts the conventional understanding that adding more material leads to larger thermal resistances. The results potentially support the concept of vibrational matching across interfaces, suggesting that adding a thin vibrational bridge layer between two solids could enhance thermal boundary conductance.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Nanoscience & Nanotechnology
C. Ulises Gonzalez-Valle, Bladimir Ramos-Alvarado
Summary: Engineering nano- and microscale systems for water filtration, drug delivery, and biosensing is enabled by the intrinsic interactions of ionic compounds in aqueous environments and limited by our understanding of these polar solid-liquid interfaces. Particularly, the fundamental understanding of the electrostatic properties of the inner pore surface of alumina nanoporous membranes could lead to performance enhancement for evaporation and filtration applications. This investigation reports on the modeling and characterization of the wettability and thermal transport properties of water-alumina interfaces. Abnormal droplet spreading was observed while using documented modeling parameters for water-alumina interfaces. This issue was attributed to the overestimation of Coulombic interactions and was corrected using reactive molecular dynamics simulations. The interfacial entropy change (from bulk to interface) of liquid molecules was calculated for different alumina surfaces. It was found that surfaces with high interfacial entropy change correlate with a high interfacial concentration of water molecules and a dominant contribution from in-plane modes to thermal transport. Conversely, highly mobile water molecules in low entropy interfaces concurred with the out-of-plane modes contributing the most to the energy transport. The hydroxyls on the passivated solid interface led to the formation of hydrogen bonds, and the density number of hydrogen bonds pe...
ACS APPLIED NANO MATERIALS
(2021)
Article
Physics, Applied
Yijun Ge, Yanguang Zhou, Timothy S. Fisher
Summary: This study combines first-principles calculations, spin-lattice dynamics, and NEGF method to compute thermal boundary conductance at a three-dimensional Co-Cu interface, considering spin-lattice interactions. It is found that spin-wave transmission is low and interfacial thermal conductance is reduced. The results are compared to the NEGF method, showing a similar trend with spins included.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Anna T. Bui, Fabian L. Thiemann, Angelos Michaelides, Stephen J. Cox
Summary: This article introduces a theoretical framework called "quantum friction" which explains the friction behavior at water-carbon interfaces. Through simulations using a classical model, it is found that the overlap between the solid's dielectric spectrum and water's vibration modes increases friction, supporting the quantum friction theory.
Article
Physics, Applied
Cecilia Herrero, Laurent Joly, Samy Merabia
Summary: This paper investigates the interfacial heat transfer between water and gold and proposes a method to increase the interfacial resistance by nanostructuring the gold surface and coating it with graphene. The results show a significant increase in the resistance compared to the planar gold situation. The predicted high thermal resistance makes this system a robust alternative to superhydrophobic materials.
APPLIED PHYSICS LETTERS
(2022)
Article
Thermodynamics
Shanchen Li, Chenchen Lu, Chao Zhang, Zhihui Li, Junhua Zhao, Jige Chen, Ning Wei
Summary: In this work, a model is proposed to investigate the effect of fluid flow on the thermal boundary conductance between solid and fluid using molecular dynamics simulations. The results show that controlling temperature by excluding velocity components along the flow direction is the best way to eliminate viscous temperature rise. Thermal conduction is insensitive to fluid flow in atomic-smooth channel, but highly dependent on flow velocity in rough channel, where the thermal boundary conductance decreases by 11.7% when flow velocity reaches 18 m/s. These findings reveal the influence of fluid flow on interfacial thermal exchange and provide insights for improving cooling systems based on microfluidics.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Engineering, Electrical & Electronic
Joon Sang Kang, Man Li, Huan Wu, Huuduy Nguyen, Toshihiro Aoki, Yongjie Hu
Summary: Thermal management is crucial in electronic systems, and the integration of novel semiconductor materials like boron arsenide and boron phosphide with other materials such as gallium nitride can significantly improve cooling performance and reduce hot-spot temperatures in high-electron-mobility transistors.
NATURE ELECTRONICS
(2021)
Article
Nanoscience & Nanotechnology
Jingjing Shi, Chao Yuan, Hsien-Lien Huang, Jared Johnson, Chris Chae, Shangkun Wang, Riley Hanus, Samuel Kim, Zhe Cheng, Jinwoo Hwang, Samuel Graham
Summary: This study investigates thermal transport at beta-Ga2O3/metal interfaces using theoretical modeling and experimental measurements. It highlights the significant impact of metal cutoff frequency on thermal boundary conductance, followed by chemical reactions and defects. Different metals show varying effects on the thermal boundary conductance in these interfaces.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Review
Nanoscience & Nanotechnology
Tianli Feng, Hao Zhou, Zhe Cheng, Leighann Sarah Larkin, Mahesh R. R. Neupane
Summary: The emergence of wide and ultrawide bandgap semiconductors has revolutionized the advancement of next-generation power, RF, and optoelectronics, but the thermal boundary resistance at semiconductor interfaces hinders heat dissipation. Many new high thermal conductivity materials and techniques have been developed to improve thermal boundary resistance, and simulation methods have been developed to advance understanding. However, there is a large gap between experiments and simulations. This review comprehensively summarizes the experimental and simulation works, aiming to build a structure-property relationship between thermal boundary resistance and interfacial nanostructures and to improve thermal boundary resistance.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Hiroki Matsubara, Donatas Surblys, Yunhao Bao, Taku Ohara
Summary: In this study, non-equilibrium molecular dynamics simulation was used to investigate the effect of surfactants on interfacial thermal transport at solid-liquid interfaces. It was found that interfacial thermal resistance can be minimized by optimizing the vibrational characteristics of surfactant molecules.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Physics, Multidisciplinary
Zhun-Yong Ong
Summary: The study shows that at graphene grain boundaries, backward scattering is more diffuse than forward scattering, supporting the hypothesis that separate specularity parameters are needed to describe transmitted and reflected phonons. This sheds new light on how surfaces and interfaces modify phonon transport within and between domains in nanostructured materials.
Article
Thermodynamics
Yiling Liu, Lin Qiu, Jinlong Liu, Yanhui Feng
Summary: The thermal properties of two-dimensional materials and their heterostructures are studied using non-equilibrium molecular dynamics simulations. The interfacial thermal conductance of a diamond/graphene heterostructure is found to be influenced by the graphene layer count and temperature. The results show that a single-layer graphene heterostructure exhibits higher interfacial thermal conductance compared to a multi-layer graphene heterostructure. Higher temperature promotes phonon coupling between diamond and graphene, leading to an increase in interfacial thermal conductance. (c) 2023 Elsevier Ltd. All rights reserved.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Chemistry, Physical
Dan Wu, Hua Ding, Zhi-Qiang Fan, Pin-Zhen Jia, Hai-Qing Xie, Xue-Kun Chen
Summary: Gallium nitride (GaN)-based high-electron-mobility transistors (HEMTs) are of interest for high-power and high-frequency electronics applications, with the thermal management issue being a key focus. Research has shown that integrating multilayer graphene with GaN can significantly enhance the interfacial thermal conductance (ITC) across their interface. Factors such as point-defect concentration, external pressure, temperature, and h-BN intercalation can regulate ITC, providing important guidelines for improving device performance and reliability.
APPLIED SURFACE SCIENCE
(2022)
Article
Biochemistry & Molecular Biology
Bingxian Ou, Junxia Yan, Qinsheng Wang, Lixin Lu
Summary: In titanium-based metal-matrix composites (MMCs), the addition of graphene as a filler can enhance thermal conductivity. Through classical molecular dynamics simulations, we explored the thermal conductance at the titanium-graphene interface and found that the thermal boundary conductance decreases with an increasing layer number, decreases under tensile strain, and increases with compressive strain.
Article
Physics, Condensed Matter
Shany Mary Oommen, Lorenzo Fallarino, J. Heinze, Olav Hellwig, Simone Pisana
Summary: We systematically analyzed the influence of 5 nm thick metal interlayers inserted at the interface of different metal-dielectric systems. Our results show that the parameters that most influence interface transport are the electron-phonon coupling strength and the maximum phonon frequency. This study provides guidance for selecting materials for thermal interface engineering.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
