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Visible Light Broadband Achromatic Metalens Based on Variable Height Nanopillar Structures
Published 2025-01-01“…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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642
Effects of Re on Vacancy Mobility in a Ni-Re System: An Atomistic Study
Published 2021-01-01“…Our findings demonstrate that even in the low-concentration limit, Re solute atoms continue to play a crucial role in the mobility of the vacancies.…”
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643
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...
Published 2025-06-01“…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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644
First-principles calculations for the effect of irradiation-induced point defects on the hydrogen dissolution and diffusion in γ-Al2O3
Published 2025-03-01“…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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645
A Coherence Preservation Control Strategy in Cavity QED Based on Classical Quantum Feedback
Published 2013-01-01“…In particular, the decoherence in cavity QED from the atomic spontaneous emission is especially considered. …”
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646
Singlet spin order in spin pairs coupled via non-bonded interactions
Published 2025-01-01“…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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647
AN OVERVIEW OF NANOELECTRONICS AND NANODEVICES
Published 2020-07-01“… 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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648
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
Published 2025-03-01“…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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Graph Energy Variants and Topological Indices in Platinum Anticancer Drug Design: Mathematical Insights and Computational Analysis with DFT and QTAIM
Published 2023-01-01“…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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Electrical Response of CdS Thin Film and CdS/Si Heterojunction to Gamma Radiation
Published 2016-01-01Get full text
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653
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Design and Fabrication of Remote Welding Equipment in a Hot-Cell
Published 2013-01-01Get full text
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655
XPS, FTIR, EDX, and XRD Analysis of Al2O3 Scales Grown on PM2000 Alloy
Published 2015-01-01Get full text
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656
Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications
Published 2025-02-01“…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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657
Numerical Study on Influence of Cross Flow on Rewetting of AHWR Fuel Bundle
Published 2014-01-01Get full text
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658
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659
Study on the Simulation Method of the Ground Test in the Arc-Heated Wind Tunnel
Published 2020-01-01“…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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660
Synthesis, Crystal Structures, and DNA Binding Properties of Zinc(II) Complexes with 3-Pyridine Aldoxime
Published 2010-01-01“…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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