Investigating the effect of electric field amplitude on the thermal behavior of paraffin/Cu nanostructure in a tube containing non-connected rotating ribs using molecular dynamics... by Ahmed Shawqi Sadeq, Rassol Hamed Rasheed, Shaima Albazzaz, Mohammad N. Fares, Soheil Salahshour, Rozbeh Sabetvand

“…The results indicate that as external electric field amplitudes increased from 0.01 to 0.05 V/m, various parameters of the simulated atomic sample show notable variations. Specifically, maximum density decreased from 0.0848 to 0.0836 atom/ų, while maximum velocity increased from 0.00496 to 0.00519 atom/Å. …”
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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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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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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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Study on the Simulation Method of the Ground Test in the Arc-Heated Wind Tunnel by Wanqing Luo, Yuanjian Yang, Jianhan Liang, Songhe Zhang, Yilei Shi

“…In addition, the oxygen atom mass fraction after the shock wave in the ground test is higher than that in the corresponding flight condition. …”
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Synthesis, Crystal Structures, and DNA Binding Properties of Zinc(II) Complexes with 3-Pyridine Aldoxime by Konstantis F. Konidaris, Rigini Papi, Eugenia Katsoulakou, Catherine P. Raptopoulou, Dimitrios A. Kyriakidis, Evy Manessi-Zoupa

“…The ZnII ion is five-coordinated, surrounded by four oxygen atoms of two acac- moieties and by the pyridyl nitrogen atom of the (3-py)CHNOH ligand. …”
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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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Improvement in the Mechanical Properties of High Temperature Shape Memory Alloy (Ti50Ni25Pd25) by Copper Addition by Saif ur Rehman, Mushtaq Khan, A. Nusair Khan, Syed Husain Imran Jaffery, Liaqat Ali, Aamir Mubashar

“…The increase in both stresses was attributed to the solid solution strengthening by substitution of Ni atoms with relatively greater atomic radius of copper (Cu) atoms. …”
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