Measurement of Velocity and Temperature Profiles in the 1/40 Scaled-Down CANDU-6 Moderator Tank by Hyoung Tae Kim, Jae Eun Cha, Han Seo, In Cheol Bang

“…In order to simulate the CANDU-6 moderator circulation phenomena during steady state operating and accident conditions, a scaled-down moderator test facility has been constructed at Korea Atomic Energy Institute (KAERI). In the present work an experiment using a 1/40 scaled-down moderator tank has been performed to identify the potential problems of the flow visualization and measurement in the scaled-down moderator test facility. …”
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Interaction Mechanisms of Cold Atmospheric Plasmas with HIV Capsid Protein by Reactive Molecular Dynamics Simulation by Ying Sun, Yang Chen, Yuantao Zhang

“…In this study, by introducing the reactive molecular dynamics (MD) simulation, the capsid protein (CA) molecule of HIV was selected as the model to investigate the reaction process upon impact by reactive oxygen species (ROS) from CAP and protein molecules at the atomic level. The simulation results show that ground-state oxygen atoms can abstract hydrogen atoms from protein chains and break hydrogen bonds, leading to the destruction of the disulfide bonds, C–C bonds, and C–N bonds. …”
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Visible Light Broadband Achromatic Metalens Based on Variable Height Nanopillar Structures by Yongyang Li, Haiyang Huang, Cong Zhang, Xiangshuo Shang, Yang Liu, Junyan Hu, Dengyu Shan, Naiyun Tang, Wei Li

“…However, like traditional optical meta-atoms, ordinary metalenses suffer from a significant chromatic aberration problem because it is difficult to design the phase distribution for different wavelengths on a single-layer metalens. …”
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First-principles calculations for the effect of irradiation-induced point defects on the hydrogen dissolution and diffusion in γ-Al2O3 by Xin-Dong Pan, Xiao-Chun Li, Jing Wang, Rongmei Yu, Chunying Pu, Hai-Shan Zhou, Guang-Nan Luo

“…Our results show that the irradiation-induced point defect exhibit a strong ability to capture dissolved H atoms, leading to higher hydrogen retention. When dissolved H atoms are captured by vacancy-type defects, the diffusion barrier becomes so high that isolated vacancy-type irradiation-induced point defects can hinder the diffusion of H atoms. …”
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A Coherence Preservation Control Strategy in Cavity QED Based on Classical Quantum Feedback by Ming Li, Wei Chen, Junli Gao

“…In particular, the decoherence in cavity QED from the atomic spontaneous emission is especially considered. …”
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Singlet spin order in spin pairs coupled via non-bonded interactions by Giuseppe Pileio, Dolnapa Yamano, Craig D. Eccles, Graham J. Tizzard, Sam Thompson

“…Fluorine spin pairs that are constrained in spatial proximity show large scalar spin-spin couplings, despite the atoms being separated by several bonds. This is due to a non-bonded atomic interaction related to partial overlapping of fluorine p-orbitals. …”
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AN OVERVIEW OF NANOELECTRONICS AND NANODEVICES by OYUBU AKPOVI OYUBU, OKPEKI UFUOMA KAZEEM

“… Nanoelectronics is a nascent area of making electronic devices at the atomic scale to utilize small-scale 'quantum' characteristics of nature. …”
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A DFT survey of CH4 storage and separation from CH4 /X (X = H2, CO2, N2, CF4, he, ne, and Ar) gas mixtures on Ti/Sc decorated B40 fullerene by P. Mousavian, M.D. Esrafili

“…In the current study, first-principles calculations are used to determine the stability of B40 fullerene decorated with Sc or Ti atoms and its applications in storing and separating CH4 from gas mixtures. …”
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Damage on a Solid–Liquid Interface Induced by the Dynamical Behavior of Injected Gas Bubbles in Flowing Mercury by Hiroyuki Kogawa, Takashi Wakui, Masatoshi Futakawa

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Graph Energy Variants and Topological Indices in Platinum Anticancer Drug Design: Mathematical Insights and Computational Analysis with DFT and QTAIM by Suha Wazzan, Nurten Urlu Ozalan

“…In addition, we employ density functional theory DFT calculations to optimize the molecular structures of platinum anticancer drugs and identify local reactive sites using Fukui functions. Quantum theory of atoms in molecules QTAIM was carried out at the bond critical point BCP, to reveal the nature of the intermolecular interactions in the investigated ten Pt anticancer drugs, especially, the nature of bonds between Pt atoms and their bond atoms. …”
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Investigation of TASS/SMR Capability to Predict a Natural Circulation in the Test Facility for an Integral Reactor by Young-Jong Chung, Sung-Won Lim, Kyoo-Hwan Bae

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Electrical Response of CdS Thin Film and CdS/Si Heterojunction to Gamma Radiation by M. R. Balboul, A. Abdel-Galil, I. S. Yahia, A. Sharaf

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Effect of Hubbard U-corrections on the electronic and magnetic properties of 2D materials: a high-throughput study by Sahar Pakdel, Thomas Olsen, Kristian S. Thygesen

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Design and Fabrication of Remote Welding Equipment in a Hot-Cell by Soosung Kim, Kihwan Kim, Jungwon Lee, Jinhyun Koh

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XPS, FTIR, EDX, and XRD Analysis of Al2O3 Scales Grown on PM2000 Alloy by K. Djebaili, Z. Mekhalif, A. Boumaza, A. Djelloul

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Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications by Aditya Venkatraman, Mark A. Wilson, David Montes de Oca Zapiain

“…Specifically, we use Long Short-Term Memory (LSTM) networks to forecast charge density evolution based on atomic environments represented by Smooth Overlap of Atomic Positions (SOAP) descriptors. …”
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Numerical Study on Influence of Cross Flow on Rewetting of AHWR Fuel Bundle by Mithilesh Kumar, D. Mukhopadhyay, A. K. Ghosh, Ravi Kumar

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Performances of halide scintillators for the dosimetry based on gamma-ray spectrometry for environmental monitoring systems by Wanook Ji, Eunjoong Lee, Young-Yong Ji

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From contamination to detection: The growing threat of heavy metals by Basma Hossam Abdelmonem, Lereen T. Kamal, Rana M. Elbaz, Mohamed R. Khalifa, Anwar Abdelnaser

“…Atomic fluorescence spectrometry (AFS) is considered a powerful tool for quantifying heavy metals due to its high sensitivity, low detection limits, and wide linear range. …”
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Simulation of Electronic Structure of Aluminum Phosphide Nanocrystals Using Ab Initio Large Unit Cell Method by Hamad R. Jappor, Zeyad Adnan Saleh, Mudar A. Abdulsattar

“…Ab initio restricted Hartree-Fock method coupled with the large unit cell method is used to determine the electronic structure and physical properties of aluminum phosphide (AlP) nanocrystals between 216 and 1000 atoms with sizes ranging up to about 3 nm in diameter. …”
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