Article
Chemistry, Multidisciplinary
Sobin Alosious, Sridhar Kumar Kannam, Sarith P. Sathian, B. D. Todd
Summary: The Kapitza resistance at the water-CNT interface was investigated using molecular dynamics simulations, proposing a new equilibrium MD method. The R-k was found to strongly depend on the diameter of the nanotube and decrease with an increase in CNT diameter, opposite to when water is on the outside of the nanotube.
Article
Physics, Applied
Michele Diego, Marco Gandolfi, Stefano Giordano, Fabien Vialla, Aurelien Crut, Fabrice Vallee, Paolo Maioli, Natalia Del Fatti, Francesco Banfi
Summary: This study theoretically investigates the role of thermal boundary resistance (TBR) and laser pulse duration in the generation mechanism of acoustic waves in liquids, specifically water-immersed gold nanocylinders. It found that high-TBR, liquid-immersed nanoparticles could potentially serve as efficient photoacoustic nanogenerators. The launching mechanism, whether thermophone or mechanophone, depends on the pulse duration and the interface type. The results provide valuable insights for the development of photoacoustic imaging and medical treatment techniques.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
William Goncalves, Mykola Isaiev, David Lacroix, Severine Gomes, Konstantinos Termentzidis
Summary: Molecular dynamics simulations were used to study the interfacial thermal resistance between crystalline or amorphous silicon and nanoconfined water. The results showed that the thermal resistance was larger between crystalline silicon and water compared to amorphous silicon and water. This can be explained by density effects. The thickness of the water slab did not have a significant impact on the thermal resistance or thermal conductivity, and the interfacial thermal resistance showed a linear relationship with temperature unless the temperature difference between the thermostats exceeded 50K.
SURFACES AND INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Christopher M. Stanley, Benjamin K. Rader, Braxton H. D. Laster, Mahsa Servati, Stefan K. Estreicher
Summary: Understanding the heat transfer across interfaces is crucial for energy efficiency and thermal stability of electronic devices. The study of interface properties in different materials reveals the significant role of interface modes in heat transfer and the potential for reducing thermal boundary resistance.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2021)
Article
Nanoscience & Nanotechnology
Yongbin Zhu, Zhijia Han, Bing Han, Feng Jiang, Xinzhi Wu, Cheng-Gong Han, Yonghong Deng, Weishu Liu
Summary: Nano approaches can effectively enhance the thermoelectric figure of merit by introducing strong phonon scattering at heterogeneous interfaces, as demonstrated in Mg2Sn/Mg3Sb2 high-content nanocomposites in this study. This leads to a significantly reduced lattice thermal conductivity and ultimately achieving a high ZT value in the material. Various defects were also observed through microstructure characterization in both Mg3Sb2 phase and Mg2Sn phase.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Physics, Applied
Jinxin Zhong, Qing Xi, Zhiguo Wang, Tsuneyoshi Nakayama, Xiaobo Li, Jun Liu, Jun Zhou
Summary: The paper proposes a simple mechanism to evaluate the TBC contributed by phonons at room temperatures by considering the mismatches of elastic modulus, atomic masses, and lattice spacing in the interface layers between two dissimilar solids. The theory explains well the observed magnitude of TBCs across various solid-solid interfaces in the range from 10(7) to 10(9)W m(-2) K-1, with coordination number density and energy transfer coefficient across interfaces identified as key parameters.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Physics, Applied
Hong-Ao Yang, Bing-Yang Cao
Summary: This study presents a robust lattice dynamics algorithm for calculating the mode-resolved phonon transmittance across interfaces. It reveals evanescent modes and localized effects at the interface and shows that the anisotropy in the azimuth angle can be ignored while the dependency on the frequency and polar angle can be decoupled, accurately reproducing the thermal boundary conductance (TBC).
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Reza Rabani, Mohammad Hassan Saidi, Ali Rajabpour, Laurent Joly, Samy Merabia
Summary: In this study, the interface thermal conductance between charged gold nanoparticles and an electrolyte was computed using molecular dynamics simulations. The results showed that the surface charge of the nanoparticles significantly enhanced the thermal conductance, independent of surface wettability and salt concentration. The enhancement was found to be dependent on the surface charge density. The increase in thermal conductance was attributed to the shift of water density distribution and the accumulation of counterions around the nanoparticle surface.
Article
Multidisciplinary Sciences
Zhuocheng Yan, Dong Xu, Zhaoyang Lin, Peiqi Wang, Bocheng Cao, Huaying Ren, Frank Song, Chengzhang Wan, Laiyuan Wang, Jingxuan Zhou, Xun Zhao, Jun Chen, Yu Huang, Xiangfeng Duan
Summary: The conformal integration of electronic systems with irregular, soft objects is crucial for emerging technologies. This study presents the design of van der Waals thin films made of staggered two-dimensional nanosheets, which have bond-free interfaces. These films have sliding and rotation degrees of freedom among the nanosheets, ensuring mechanical stretchability and malleability, as well as a network of nanochannels for permeability and breathability. The films can adapt to the surface topography and seamlessly merge with living organisms, enabling electronic functions such as leaf-gate and skin-gate transistors.
Article
Chemistry, Multidisciplinary
Yang Liu, Xing-Hua Xia
Summary: The study proposes an in situ ATR-IR approach combining Gaussian fitting to qualitatively and quantitatively explore the temperature-dependent structural stability and transformation of three water components on interfaces with different wettabilities. The results show reversible and irreversible transformation processes between different water components at different interfaces upon external stimuli, providing insights into water properties at interfaces.
Article
Physics, Condensed Matter
Aleksandr Meilakhs, Bogdan Semak
Summary: This paper introduces a new method for calculating interfacial thermal resistance in the case of heat transport through the interface by phonons, considering the nonequilibrium character of phonon-distribution functions during heat transfer. The well-described diffuse mismatch model is used to introduce a model set of transmission and reflection amplitudes of phonons at the interface, for which an exact analytical solution is derived. Finally, the problem is solved for a set of transmission and reflection amplitudes characterized by a free parameter.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Masaaki Akamatsu, Ayumi Kimura, Koji Yamanaga, Kenichi Sakai, Hideki Sakai
Summary: The study evaluated anion-pi interactions at the solid/water interface and found that anion adsorption followed the hydration energy and the presence of conjugated systems of the anions by QCM measurements. Force curve measurements revealed that the single-molecule force of anion-pi interaction was approximately 40 pN between an NDI unit and the negatively charged surface of the cantilever. This study presented the first example of obtaining a single-molecule force for anion-pi interactions.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Eleonora Isotta, Shizhou Jiang, Gregory Moller, Alexandra Zevalkink, G. Jeffrey Snyder, Oluwaseyi Balogun
Summary: Grain-boundary engineering is an effective strategy to tune thermal conductivity, leading to improved performance in various applications. By employing spatially resolved frequency-domain thermoreflectance, thermal imaging of individual grain boundaries is demonstrated in SnTe. Local suppressions in thermal conductivity at grain boundaries are observed. The extracted grain-boundary thermal resistance is found to be correlated with the grain-boundary misorientation angle, providing comprehensive understanding of how microstructure affects heat transport.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Eleonora Isotta, Shizhou Jiang, Gregory Moller, Alexandra Zevalkink, G. Jeffrey Snyder, Oluwaseyi Balogun
Summary: Grain-boundary engineering is an effective strategy to control thermal conductivity in materials, but the mechanism by which grain boundaries modulate heat flow is not yet fully understood. In this study, thermal imaging technique revealed local suppressions in thermal conductivity at grain boundaries and showed a correlation between grain-boundary thermal resistance and misorientation angle. Extracting thermal properties from microscale imaging enables a comprehensive understanding of how microstructure affects heat transport.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
A. Gallo, F. Tavares, R. Das, H. Mishra
Summary: Liquid marbles are droplets covered with non-wetting particles and have practical significance. A unified framework for describing the mechanics of deflating liquid marbles during evaporation is currently lacking. Through experiments and theory, insights into the potential final states of evaporating liquid marbles have been gained, leading to the development of an evaporation model that fits well with experimental results.
Article
Chemistry, Physical
H. Gokberk Ozcelik, Yigit Sozen, Hasan Sahin, Murat Barisik
APPLIED SURFACE SCIENCE
(2020)
Article
Thermodynamics
Onur Yenigun, Murat Barisik
Summary: This study introduces a new method for controlling heat transfer between graphene and water using an applied non-uniform electric field, resulting in a substantial increase in heat transfer by reducing interfacial thermal resistance and increasing thermal conductivity. This technique helps distribute and concentrate heat between different regions, which is important for hot spot cooling and heat focusing applications.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Chemistry, Multidisciplinary
Jaber Al Hossain, BoHung Kim
Summary: The transport mechanism of a simple liquid through nanoporous graphene membranes was explored using nonequilibrium molecular dynamics simulation. The pore diameter affects the local density peak near the membrane and the pressure drop, as well as the velocity profile inside the nanopore. By implementing different boundary approaches and local nanoscale variants, an optimized pore boundary definition was found.
Article
Nanoscience & Nanotechnology
Md Masuduzzaman, BoHung Kim
Summary: This study uses atomistic simulations to investigate the relationship between the contact angle of nanoscopic liquid droplets on a solid substrate and the boundary position, revealing significant impacts of variable wettability and boundary positions on the contact angle. Interestingly, pure and ion-water droplets exhibit almost identical contact angles at specific boundary positions, regardless of varying ion concentrations. The results suggest that the interfacial boundary concept for measuring contact angle using classical Young's equation shows convergence to experimental evaluation.
MICROFLUIDICS AND NANOFLUIDICS
(2021)
Article
Chemistry, Physical
B. Oyku Alan, Murat Barisik
Summary: This study investigates the impact of temperature on the surface charge of silica nanoparticles (SNP) with different sizes and roughness, revealing a significant increase in surface charge with higher temperatures. The deviation from existing theory due to temperature variation is characterized, indicating a complex relationship between temperature, particle size, and surface charge regulation. A phenomenological model is proposed to predict surface charge of SNPs based on particle size, roughness, and temperature, offering important insights for nanoparticle characterization and potential applications involving temperature adjustments.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Thermodynamics
Safa Sabet, Murat Barisik, Bernardo Buonomo, Oronzio Manca
Summary: This study analyzed the effects of rarefaction on permeability and heat transfer coefficients in convective gas flows by conducting pore-level analysis of a Kelvin cell model. The results showed that rarefaction significantly enhanced permeability, but this enhancement decreased with increasing porosity. Rarefaction also weakened inertial effects and drag forces, with a more pronounced effect at high Reynolds numbers. For highly conductive metal foam structures, the influences of boundary slip and temperature jump canceled each other out, resulting in Nusselt numbers primarily being dependent on Reynolds number.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2022)
Article
Nanoscience & Nanotechnology
Jaber Al Hossain, BoHung Kim
Summary: Non-equilibrium molecular dynamics simulations were conducted in this study to investigate the temperature gradient across various EAM/EAM solid-solid interfaces with different lattice orientations. The results showed fluctuations in atomic surface density and volume density at the nanometer scale, with the grain boundary energy being influenced by the gap between two atomic layers. The necessity of considering proper boundary definitions and its impact on interfacial thermal transport analysis were discussed.
Article
Chemistry, Physical
Onur Yenigun, Murat Barisik
Summary: In this study, an active heat transfer control between graphene and water was achieved using interdigitated electrodes. The nonuniform electric field created by oppositely charged co-planar electrodes enhanced the coupling between water and graphene and decreased the interfacial thermal resistance. The researchers found a linear relationship between the electric field strength and the Kapitza values, and the interdigitated electrode system required lower electrode charges. The results showed that the localized electric field at the interface can improve heat transfer efficiency, providing new possibilities for graphene-based materials in solving the thermal management problem in micro/nano-electronics.
Article
Chemistry, Multidisciplinary
Md Masuduzzaman, BoHung Kim
Summary: In this study, the effects of different interface boundaries on the thickness of the electrical double layer (EDL) and the characteristics of electroosmotic flow (EOF) were investigated using a theoretical framework and molecular dynamics simulations. The results showed that the interface boundaries have a significant impact on the EDL thickness and the hydrodynamic properties of EOF, indicating that the dissimilar atomic boundary and hydrodynamic properties dominate the electrokinetic flow.
Article
Materials Science, Composites
Gozde Esenoglu, Murat Barisik, Metin Tanoglu, Melisa Yeke, Ceren Turkdogan, Hande Iplikci, Seckin Martin, Kaan Nuhoglu, Engin Aktas, Serkan Dehneliler, Mehmet Erdem Iris
Summary: This study aims to improve the bonding behavior of fiber reinforced polymer composite joints by coating them with electrospun nanofibers on the prepreg surfaces. The experimental results show that the bonding strength of the joints is improved by about 40% with the presence of electrospun nanofibers, enhancing the adhesion performance of the composite joints.
JOURNAL OF COMPOSITE MATERIALS
(2022)
Article
Materials Science, Composites
Hande Iplikci, Murat Barisik, Ceren Turkdogan, Seckin Martin, Melisa Yeke, Kaan Nuhoglu, Gozde Esenoglu, Metin Tanoglu, Engin Aktas, Serkan Dehneliler, Mehmet Erdem Iris
Summary: The removal of contaminants and top polymer layer from the surface of Carbon-Fiber-Reinforced Polymer (CFRP) composites is crucial for achieving high-quality adhesive bonding with the reinforcing fiber constituents. Laser beam surface treatment offers a selective removal of the polymer matrix while preserving the fibers and improving wettability. However, the heterogeneous thermal properties of CFRP make it challenging to control laser ablation, as the absorbed laser energy is converted into heat and conducted through the fiber structures. This study characterizes the effects of scanning speed and laser power on nanosecond laser surface treatment, and determines the optimal processing parameters for complete removal of epoxy matrix without damaging the carbon fibers.
JOURNAL OF COMPOSITE MATERIALS
(2023)
Article
Engineering, Chemical
Kaan Nuhoglu, Engin Aktas, Metin Tanoglu, Seckin Martin, Hande Iplikci, Murat Barisik, Melisa Yeke, Ceren Turkdogan, Gozde Esenoglu, Serkan Dehneliler, Mehmet Erdem Iris
Summary: The aim of this study is to validate and evaluate the adhesive bonding behavior of laser surface-treated CFRP composite structures. Both experimental and numerical analyses were conducted using the finite element technique to predict the failure load and damage growth. A macro-scale 3D FEA with the Cohesive Zone Model (CZM) technique was developed to simulate the bonding behavior in composite structures, especially the skin-spar relation in the aircraft wing-box.
INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES
(2023)
Article
Chemistry, Multidisciplinary
Gozde Esenoglu, Metin Tanoglu, Murat Barisik, Hande Iplikci, Melisa Yeke, Kaan Nuhoglu, Ceren Turkdogan, Sekin Martin, Engin Aktas, Serkan Dehneliler, Ahmet Ayberk Gurbuz, Mehmet Erdem Iris
Summary: In this study, PA66 nanofibers produced by electrospinning were coated on carbon/epoxy prepregs to enhance the bond strength of the composites. The results showed that the coating substantially improved the shear strength, impact strength, and fracture toughness of the joints.
Article
Chemistry, Physical
Jaber Al Hossain, BoHung Kim
Summary: The dominant behavior of molecules in the molecular regime makes the use of continuum approach questionable. Experimentalists rely on trial and error due to the lack of perfect modeling of small-scale systems. In this study, the water transport mechanism through a nanoporous graphene membrane was analyzed using molecular dynamics simulation. The results show that local variants become exponentially dominant with decreasing nanopore size, leading to breakdown of the continuum assumptions at 1.5 nm pore diameter. However, flows through the nanopore can still be modeled using the continuum approach if the pore diameter exceeds 1.5 nm.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Fluids & Plasmas
Kazi Ehsanul Karim, BoHung Kim
Summary: This study investigates the flow characteristics of a simple liquid in a SWCNT at the nanoscale using NEMD and equilibrium molecular dynamics simulations, finding that local thermodynamic properties such as density distribution define the boundaries, with the boundary position being influenced by input energy.