Article
Chemistry, Physical
Majid Namayandeh Jorabchi, Mohsen Abbaspour, Elaheh K. Goharshadi, Sebastian Wohlrab
Summary: This study investigated the solvation of nanoclusters in ionic liquids using molecular dynamics simulations, showing that Pt and Au-Pt systems have higher solvation energies, which decrease with increasing temperature but increase with increasing nanocluster size. The structure of nanoclusters remained stable at different temperatures, but became more spherical at higher temperatures, with the core-shell structure of (Au-Pt)309 nanocluster unchanged. Anions were found to be closer to nanocluster surfaces than cations, supporting the DLVO theory, while charge separation was not complete and dynamics results showed differences in self-diffusion values among different metals.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Mechanics
F. Lambiase, V Grossi, A. Paoletti
Summary: The study investigated the influence of joining time during the friction-assisted joining process, finding that high plunging rates provided higher heating rates and energy efficiency. High-speed joining hindered the formation and coalescence of porosities, reduced polymer overflow, and improved the strength of the joints.
COMPOSITE STRUCTURES
(2022)
Article
Engineering, Industrial
Zilin Hao, Xuan Li, Jinglin Liu, Yuming Xie, Qi Wen, Xiangchen Meng, Yongxian Huang, Long Wan
Summary: To achieve strong joint performance and high processing efficiency of dissimilar metals, a novel hybrid process called Expanding-Welding method (EW) was proposed. Molecular dynamics analysis and experiments demonstrated the effectiveness of this method. The successful application of this process can increase energy efficiency in industries such as petroleum and chemical sectors.
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2022)
Article
Mathematics, Interdisciplinary Applications
Yunus Onur Yildiz
Summary: The main aim of this paper is to enhance the understanding of the sintering process by using a new generation algorithm to generate irregularly-shaped nanoparticles. Different sintering scenarios were conducted to determine the most effective way of simulating the sintering process, and the morphological evolution of irregularly-shaped gold nanoparticles was examined. Additionally, adaptive common neighbor analysis was performed to observe the change in the morphology of atomistic models, and molecular dynamic analyses were used to study the mechanical behavior.
COMPUTATIONAL PARTICLE MECHANICS
(2023)
Article
Materials Science, Multidisciplinary
Youran Zhi, Qiaoyun Tang, Feng Zhang, Ao Guo
Summary: This paper presents a molecular dynamics analysis of a bimodal nanocrystalline Cu-Ag alloy and studies its mechanical properties under different strain conditions. The effect of the silver atomic composition content of the alloy matrix on its mechanical properties is investigated. The influence of these variables on the dislocation activity of bimodal nanocrystalline Cu-Ag alloys and the corresponding deformation mechanisms are explored in detail.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Chemistry, Physical
Bijun Geng, Xiaobing Zeng, Qianwei Liang, Li Tan, Yuyu Chen, Rongkai Ye, Jianqiang Hu
Summary: In this work, the redox reaction kinetics mechanism was used for the first time to reveal the sequential growth mechanism of gold and silver nanocrystals in Ag-Au-Ag heterojunction nanorods. The mechanism provides insight into the design and synthesis of other one-dimensional segmented metal nanostructures.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Zhiyuan Chen, Khanh Nguyen, Grant Kowalik, Xinyu Shi, Jinbi Tian, Mitansh Doshi, Bridget R. R. Alber, Xun Guan, Xitong Liu, Xin Ning, Matthew W. W. Kay, Luyao Lu
Summary: Transparent microelectrodes have been widely studied in the biomedical field due to their advantages in simultaneous electrical and optical interrogation of cell/tissue activity. In this study, a microelectrode array (MEA) with gold-coated silver nanowires (Au-Ag NWs) was designed to achieve desirable mechanical stretchability, optical transparency, electrochemical performance, and chemical stability. The MEAs exhibited high optical transparency, low electrochemical impedance, stable chemical and electromechanical performance, and superior capability for colocalized electrophysiological and optical mapping of cardiac function.
ADVANCED MATERIALS TECHNOLOGIES
(2023)
Article
Chemistry, Multidisciplinary
Licong Cui, Jiaming Li, Huaicheng Zhou, Lei Wu, Dan Yang, Huiyun Liu, Linmao Qian, Bingjun Yu
Summary: This study investigates the lateral bending of Ag nanowires under various bending angles and pushing velocities. It is found that fractures occur when the bending angle exceeds 80 degrees, and the mechanical performance is clarified based on high-resolution transmission electron microscope (HRTRM) detections. The presence of grain boundaries inside Ag nanowires is identified as a contributor to the generation of fractures and cracks during bending and nanoindentation.
Article
Biochemistry & Molecular Biology
Zhi-Hui Li, Chenchen Lu, Aiqiang Shi, Sihan Zhao, Bingxian Ou, Ning Wei
Summary: This study investigates the defect initiation, growth, and crack propagation of metallic truss structure under high engine temperature and pressure conditions. Using the Gas-Kinetic Unified Algorithm (GKUA) and all-atomic, molecular dynamic (MD) simulation method, the deformation and failure processes are explored from macroscale to nanoscale.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
F. Eddiai, M. Dardouri, A. Hassani, A. Hasnaoui, K. Sbiaai
Summary: The study analyzed diffusion and coalescence phenomena of Au-clusters during heteroepitaxial growth on Ag (110) surface using molecular dynamics simulations. Results showed clusters diffuse via exchange mechanism and simple jump on the surface, leading to a transition from 2D to 3D. The formation and adsorption energies of clusters with different sizes were computed, and the influence of temperature on cluster stability and growth was studied through dynamic coalescence simulations.
JOURNAL OF MOLECULAR MODELING
(2021)
Article
Polymer Science
Fengjun Chen, Fan Liu, Xiaogang Du
Summary: In this study, the crosslinking process and micro mechanical properties of epoxy resin under the action of an accelerator were investigated using molecular dynamics simulation. The results showed that increasing the crosslinking density can enhance the modulus and glass transition temperature, but decrease the cohesive energy density, solubility, and Poisson's ratio. Moreover, the tensile strength, friction coefficient, temperature, and relative concentration distribution were also affected by the crosslinking density.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Multidisciplinary Sciences
Parisa Marashizadeh, Mohammad Abshirini, Mrinal C. Saha, Liangliang Huang, Yingtao Liu
Summary: A multiscale modeling framework was developed to investigate the effect of ZnO nanowires on the fiber/matrix interface and fiber fragmentation mechanism. The results demonstrated that incorporating ZnO nanowires significantly improved the interface properties and enhanced load transfer efficiency and interfacial shear strength.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Nanoscience & Nanotechnology
Zhilin Liu, Xiaoming Yuan, Shiliang Wang, Sha Liu, Hark Hoe Tan, Chennupati Jagadish
Summary: This study investigates the mechanical properties and fracture mechanisms of GaAs nanowires under tensile stress, revealing that they deform elastically overall until sudden brittle fracture at 3.79% strain. Experimental results show fracture strength and elastic modulus of 4.0 and 109.5 GPa, respectively, which are much smaller than previous compression-based reports.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Energy & Fuels
Eul-Yong Shin, Su Bin Choi, Jong Ho Lee, Byungwook Yoo, Chul Jong Han, So Hyun Park, Jun Hong Noh, Jong-Woong Kim, Hae Jung Son
Summary: In order to realize flexible and wearable electronic devices, the development of flexible transparent electrodes is crucial. A highly conductive transparent electrode based on MXene nanosheet films and Ag nanowires (AgNWs) is reported in this study, showing improved conductivity and transmittance compared to traditional electrodes. The MXene/AgNW/cPI hybrid electrode exhibits higher transmittance and lower sheet resistance, and flexible organic photovoltaic devices fabricated with this electrode achieve higher power conversion efficiency. These results demonstrate the great potential of MXene-based electrodes for various applications.
Article
Energy & Fuels
Na Liu, Azher M. Abed, Jameel Mohammed Ameen Sulaiman, Abdulmalek A. Altamami, Sami Mohammed, Sabah Auda AbdulAmeer, Salema K. Hadrawi, Ammar abdul Haleem abdulQader, Mahmoud Shamsborhan, As'ad Alizadeh, Navid Nasajpour-Esfahani, Roozbeh Sabetvand
Summary: The addition of nanoparticles can alter the thermophysical properties of materials, such as accelerating phase transition processes. The concentration changes of nanoparticles also affect the dynamic and thermal properties of structures. Therefore, it is crucial to investigate how the volume fraction of nanoparticles impacts the thermal behavior of phase change materials.
JOURNAL OF ENERGY STORAGE
(2023)