Article
Physics, Applied
Xinyu Liu, Quanjie Wang, Renzong Wang, Sheng Wang, Xiangjun Liu
Summary: In this study, the effect of interfacial compositional diffusion on the interfacial phonon transport in GaN/AlN heterostructures was explored using molecular dynamics and phonon dynamics simulations. It was found that compositional diffusion significantly reduced the interfacial thermal conductance of the heterostructures, which can be modulated by adjusting the diffusion thickness. Phonon wave packet simulations revealed that the energy transmission coefficient across the interface depends strongly on phonon frequency and interfacial morphology, consistent with the calculated thermal conductance of the structures.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Physics, Applied
S. Milad Hatam-Lee, Kiarash Gordiz, Ali Rajabpour
Summary: This study investigates the interfacial thermal conductance across various 2D carbon-based structures and their lattice-dynamical properties, finding that the percentage of localized interfacial modes is a strong predictor for thermal conductance. Additionally, the study explores thermal transport in carbon-based 2D materials and its dependence on interface thermal resistance.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Youngjun Ahn, Jiawei Zhang, Zhaodong Chu, Donald A. Walko, Stephan O. Hruszkewycz, Paul G. Evans, Eric E. Fullerton, Haidan Wen
Summary: Dynamical control of thermal transport at the nanoscale can be achieved through optically driven structural phase transitions, enabling ultrafast modulation of nanoscale thermal switches.
Article
Physics, Multidisciplinary
Song Hu, C. Y. Zhao, Xiaokun Gu
Summary: In this study, the influence of thermostats on the prediction of interfacial thermal conductance (ITC) was investigated using non-equilibrium molecular dynamics (NEMD) simulations. It was found that the Langevin thermostat leads to larger ITC compared to the Nose-Hoover thermostat. The simulations with the Nose-Hoover thermostat showed a strong size effect of thermal reservoirs. Detailed analysis revealed that, under the Nose-Hoover thermostat, the temperature difference between acoustic phonons in hot and cold thermal reservoirs is smaller than that of optical phonons, while in the Langevin thermostat, the phonons have identical temperatures. This non-equilibrium state of phonons in the case of the Nose-Hoover thermostat reduces the heat flux of low-to-middle-frequency phonons.
Article
Nanoscience & Nanotechnology
Yongjian Zhang, Ziyang Wang, Ning Li, Zhanxun Che, Xiaoyan Liu, Guo Chang, Jinpeng Hao, Jingjie Dai, Xitao Wang, Fangyuan Sun, Hailong Zhang
Summary: Manipulating the interfacial structure is crucial for enhancing the interfacial thermal conductance in Cu/diamond composites. This study investigates the interfacial thermal conductance between Cu and diamond with an interconnected interlayer and explores the relationship between interfacial structure and conductance. Experimental measurements and molecular dynamics simulations are conducted to analyze the effects of different interlayers on thermal conductance.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Qing-Xiang Pei, Jun-Yan Guo, Ady Suwardi, Gang Zhang
Summary: In this study, the phonon interfacial thermal conductance (ITC) in Bi2Te3/Au and Bi2Te3/Cu was investigated using non-equilibrium molecular dynamics simulations. It was found that the ITC in Bi2Te3/Cu is 3-fold higher than that in Bi2Te3/Au. Both the stronger interfacial van der Waals interaction and phonon coupling were found to contribute to the higher ITC in Bi2Te3/Cu. Furthermore, the ITC of Bi2Te3/Au and Bi2Te3/Cu can be effectively tuned by mechanical strain, with a 0.04 compressive strain leading to a 120% and 62% increase in ITC, respectively.
MATERIALS TODAY PHYSICS
(2023)
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, Physical
Bingyang Wu, Man Zhou, Dajie Xu, Jiaju Liu, Rongjiang Tang, Ping Zhang
Summary: The interfacial thermal conductance of BP/MoS2 2D van der Waals heterostructures is greatly influenced by temperature and Mo vacancy defects. The presence of Mo vacancy defects shifts the phonon density of states towards lower frequencies and increases the number of low-frequency phonons, leading to nonlocalization features in the low-frequency range. These findings offer theoretical insights for manipulating thermal conductance in devices based on BP/MoS2 vdW heterostructures.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Physical
Romain Rouxel, Michele Diego, Paolo Maioli, Noelle Lascoux, Fabien Vialla, Francesco Rossella, Francesco Banfi, Fabrice Vallee, Natalia Del Fatti, Aurelien Crut
Summary: When a metal nanoparticle absorbs light, it undergoes a series of relaxation processes that lead to transient modifications in its optical response. By using time-resolved spectroscopy experiments, it was shown that the transient optical response could be attributed to internal thermalization processes within the nanoparticle, and the effects of electron and ionic lattice heating were quantitatively studied. The study demonstrated the possibility of selectively probing electronic or lattice dynamics by choosing specific probe wavelengths, and showed that the timedependent spectral shape of transient extinction cross-section changes was successively dominated by electron and lattice heating effects.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
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
Chemistry, Physical
Yuling Zhai, Yanhua Li, Zihao Xuan, Zhouhang Li, Hua Wang
Summary: Understanding the thermal transport mechanism is crucial for developing nanofluids with high thermal conductivity. Different nanoparticles dispersed in deionized water exhibit varying thermal conductivities, with the relationship between nanolayer structure and thermal conductivity being complex. Molecular dynamics simulations suggest that a new parameter, N/delta, can quantitatively evaluate the relationship between nanolayer structure and thermal conductivity in nanofluids.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Marisa Hoffmann, Christine Alexandra Schedel, Martin Mayer, Christian Rossner, Marcus Scheele, Andreas Fery
Summary: Metal nanoparticles are increasingly used in advanced electronic systems and devices. Gold-nanorod lines with small widths and good conductivity can be created using template-assisted self-assembly. However, the consistency of charge transport properties between individual lines is a concern. Conductance testing reveals that multiple parallel lines are necessary to achieve predictable conductivity properties.
Article
Chemistry, Physical
Lijian Song, Youchen Zhang, Jin Zhan, Ying An, Weimin Yang, Jing Tan, Lisheng Cheng
Summary: As electrical technologies improve, rapid heat dissipation in dense-power and miniaturized electronic devices becomes crucial. Scientists have developed thermal-conductive materials to enhance heat dissipation, and polymer composites have attracted attention due to their lightweight, anti-corrosion, and electrical insulating properties. Interfacial thermal resistance (ITR) is a critical factor in improving the thermal conductivity of composites. Molecular dynamic (MD) simulations have shown potential in interpreting and predicting macroscopic thermal phenomena, but validation is necessary for reliable and meaningful results.
MOLECULAR SIMULATION
(2022)
Article
Nanoscience & Nanotechnology
Prabudhya Roy Chowdhury, Jingjing Shi, Tianli Feng, Xiulin Ruan
Summary: Bismuth telluride (Bi2Te3) and its alloys with antimony telluride (Sb2Te3) are known as the best thermoelectric materials at room temperature. Recent studies have shown high thermoelectric performance in Bi2Te3-Sb2Te3 nanostructures, but computational studies on phonon transport across these nanostructures are limited.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Thermodynamics
Xiang Wei, Chun-Mei Wu, You-Rong Li
Summary: The study thoroughly examines the influencing mechanisms of adsorption and cluster transition on interfacial heat transfer through molecular dynamics simulations. It reveals that the evolution and vibrational behavior of adsorption clusters play significant roles in the variation of interfacial thermal conductance. Different trends of thermal conductance are observed in two distinct regions during the adsorption process, with a rapid increase in region I and a slowing down of the changing rate in region II.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Physics, Applied
Yingying Zhang, Dingbin Huang, Chi Zhang, Xiaojia Wang
Summary: This article discusses the effects of magnon-phonon interactions on the thermal and magnetic transport properties of magnetic materials in condensed-matter physics, and explores the potential applications of such interactions.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Jing Zhou, Kunming Yang, Bihuan Yang, Boan Zhong, Songsong Yao, Youcao Ma, Jian Song, Tongxiang Fan, Dawei Tang, Jie Zhu, Yue Liu
Summary: Graphene has great potential for thermal management applications due to its high thermal conductivity. However, the low interface thermal conductance between graphene and metals limits its effective heat dissipation. In this study, the interfacial electron behaviors were investigated by comparing hydrogenation-treated graphene with pure graphene, and the effect of graphene layer numbers on the interfacial thermal conductance was systematically studied. The results showed that a larger interfacial thermal conductance can be obtained with lower layer numbers.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Physics, Applied
Yiwen Song, Chi Zhang, James Spencer Lundh, Hsien-Lien Huang, Yue Zheng, Yingying Zhang, Mingyo Park, Timothy Mirabito, Rossiny Beaucejour, Chris Chae, Nathaniel McIlwaine, Giovanni Esteves, Thomas E. Beechem, Craig Moe, Rytis Dargis, Jeremy Jones, Jacob H. Leach, Robert M. Lavelle, David W. Snyder, Jon-Paul Maria, Roy H. Olsson, Joan M. Redwing, Azadeh Ansari, Jinwoo Hwang, Xiaojia Wang, Brian M. Foley, Susan E. Trolier-McKinstry, Sukwon Choi
Summary: AlN thin films have great potential for applications in optoelectronics, power electronics, and microelectromechanical systems. The thermal conductivity of these thin films exhibits an anisotropic behavior, which is influenced by film thickness and grain size. Electron microscopy reveals that the presence of grain boundaries and dislocations limits the thermal conductivity. Simulation results indicate that self-heating in AlN thin films significantly affects the power handling capability of RF filters.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Abner Magalhaes Nunes, Priscila Falagan-Lotsch, Ayman Roslend, Mario Roberto Meneghetti, Catherine Jones Murphy
Summary: In this study, gold mini-rods and gold nanospheres of different sizes and shapes were synthesized and tested on human dermal fibroblasts. It was observed that the mini gold nanorods did not significantly affect cell viability, mitochondrial membrane potential, and levels of reactive oxygen species. The production of extracellular vesicles by the cells was also unaffected by exposure to gold nanoparticles. These results suggest that these mini gold nanorods are suitable for a wide range of short-term cellular applications.
NANOSCALE ADVANCES
(2023)
Review
Chemistry, Multidisciplinary
Katherine M. Greskovich, Kelly M. Powderly, Maegen M. Kincanon, Nathan B. Forney, Catherine A. Jalomo, Anita Wo, Catherine J. Murphy
Summary: Gold nanoparticles (AuNPs) and gold nanorods (AuNRs) have unique properties that make them applicable in various fields such as biosensing, medicine, and catalysis. This Account focuses on the soft surface coatings of AuNPs, which play a crucial role in their interactions with the surrounding environment. The postmodification of AuNP surface chemistry can significantly alter the colloidal stability, nano-bio interactions, and functionality of the nanoparticles. Techniques such as nuclear magnetic resonance (NMR) spectroscopy and electron energy loss spectroscopy (EELS) have been used to study the ligands on the surface of AuNPs and their distribution.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Deyuan Lyu, Jenae E. Shoup, Dingbin Huang, Javier Garcia-Barriocanal, Qi Jia, William Echtenkamp, Geoffrey A. Rojas, Guichuan Yu, Brandon R. Zink, Xiaojia Wang, Daniel B. Gopman, Jian-Ping Wang
Summary: In this paper, the feasibility of preparing high-quality L1(0)-FePd thin films and its synthetic antiferromagnet (SAF) structure on Si/SiO2 wafers is studied. By coating the amorphous SiO2 surface with an MgO(001) seed layer, L1(0)-FePd single layer and SAF stack with good (001) orientation, strong perpendicular magnetic anisotropy, and suitable interlayer exchange coupling are successfully prepared. Systematic characterizations explain the outstanding performance of the L1(0)-FePd layers. The results of this study make scalable spintronics more practical.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Zhongyin Zhang, Xuanhui Fan, Jie Zhu, Kunpeng Yuan, Jing Zhou, Dawei Tang
Summary: High-pressure is widely used to improve material performances, such as thermal conductivity and interfacial thermal conductance. Gallium arsenide (GaAs) has attracted extensive attention in high-pressure studies due to its technological importance and complex structure transitions. The thermal properties of GaAs under high pressure are still not well understood. In this study, we systematically investigate GaAs and G Al/GaAs under multi-structure up to approximately 23 GPa. Our findings provide insights into understanding the role of phonons, lattice defects, and electrons in GaAs under pressure, as well as the enhancement of thermal conductance in G Al/GaAs.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Sophia M. McClain, Moses H. Milchberg, Chad M. Rienstra, Catherine J. Murphy
Summary: The interaction between alpha-synuclein and synaptic vesicle mimics depends on the malleability and rigidity of the mimics, with higher binding affinities observed for rigid mimics. The lipid composition of the mimics also affects the interaction. The study provides insights into the behavior of alpha-synuclein and its relation to membrane properties.
Article
Chemistry, Physical
Chengyang Yuan, Zhongyin Zhang, Jie Zhu, Jiafei Zhao, Lunxiang Zhang, Lei Yang, Yongchen Song, Dawei Tang
Summary: The underlying mechanism of limited lattice thermal conductivity in energy-related host-guest crystalline compounds has been studied. By using the time domain thermoreflectance technique and theoretical calculations, the ultralow thermal conductivity of xenon clathrate hydrate was investigated. It was found that localized guest modes hybridize with acoustic branches and severely limit the acoustic contribution. Additionally, guest fillers were found to cause significant phonon scattering in a wide range of frequencies.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Khoi Nguyen L. Hoang, Catherine J. Murphy
Summary: This study examines the interactions between oxidized and reduced PDI with citrate-coated AuNPs using various techniques. It is found that PDI adsorbs to the AuNP surface, leading to a reduction in its enzymatic activity, with limited changes in secondary structures.
Article
Chemistry, Multidisciplinary
Hongyang Li, Chengzhi Hu, Yanhui Jiang, Jie Zhu, Yichuan He, Xianfeng Hu, Dawei Tang
Summary: In this study, a flexible and leakage-proof sodium alginate-based phase change composite film (PCCF) was fabricated via a facile and green synthesis method with the assistance of stainless steel meshes. Multiwall carbon nanotubes (MWCNTs) were used to enhance the thermal conductivity of the PCCF. The PCCF exhibited leakage proof and high thermal performance, making it suitable for providing thermal comfort to electronic devices.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Matthew T. Gole, Mohan T. Dronadula, Narayana R. Aluru, Catherine J. Murphy
Summary: Understanding the adsorption behavior of proteins on rough and wrinkled surfaces is crucial for biosensor and flexible biomedical device applications. This study investigates the nanoscale adsorption behavior of immunoglobulin M (IgM) and immunoglobulin G (IgG) on wrinkled and crumpled surfaces using atomic force microscopy (AFM). The results show that the presence of negative curvature on the wrinkled surface reduces protein surface coverage, mainly due to geometric hindrance and reduced binding energy, while smaller IgG molecules are not affected by this degree of curvature.
NANOSCALE ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Maegen Kincanon, Catherine J. Murphy
Summary: The self-assembly of colloidal nanocrystals is of great interest for creating hierarchical nanomaterials with advanced function. Gold nanocrystals can enhance local electric fields and provide plasmonic fields for surface-enhanced spectroscopies. A selective biotinylation method was developed for gold nanorods, allowing for self-assembly upon addition of streptavidin. The self-assembly was analyzed for different sized nanorods, showing high yield for larger nanorods and low yield for smaller nanorods.
Article
Chemistry, Multidisciplinary
Christian A. Reardon-Lochbaum, Ravithree D. Senanayake, Rocio Amaro Marquez, Kha Trinh, Khoi Nguyen L. Hoang, Tobias Rangel Guillen, Catherine J. Murphy, Robert J. Hamers, Joel A. Pedersen, Rigoberto Hernandez
Summary: Supported lipid bilayers are commonly used as model systems for studying interactions between biological membranes and proteins or nanoparticles. The choice of substrate material, such as gold or SiO2, influences the interactions and adsorption behavior of anionic nanoparticles and cytochrome c to the bilayers. The underlying substrate material plays a role in determining the extent of interaction between nanoscale analytes and supported lipid bilayers.
ENVIRONMENTAL SCIENCE-NANO
(2023)
Article
Nanoscience & Nanotechnology
Jing Zhou, Kunming Yang, Bihuan Yang, Boan Zhong, Songsong Yao, Youcao Ma, Jian Song, Tongxiang Fan, Dawei Tang, Jie Zhu, Yue Liu
Summary: As a typical two-dimensional material, graphene has high in-plane thermal conductivity but low interface thermal conductance with metals, limiting its effectiveness in thermal management. This study investigates the interfacial electron behaviors between hydrogenation-treated graphene and nickel nanofilms. The results show that a larger interface thermal conductance can be obtained when the layer number is low, possibly reaching a peak value at a certain layer number.
ACS APPLIED MATERIALS & INTERFACES
(2022)
