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Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects [PDF]

open access: yesNanomaterials, 2020
Kirkwood-Buff (KB) integrals provide a connection between microscopic properties and thermodynamic properties of multicomponent fluids. The estimation of KB integrals using molecular simulations of finite systems requires accounting for finite size ...
Noura Dawass   +6 more
doaj   +2 more sources

Analysis of Large Deflection of Nanobeams with Circular Cross Section under Distributed Load Taking into Surface Effects [PDF]

open access: yesفناوری در مهندسی هوافضا, 2023
In the present study, the large deflection of nanobeams with surface effects has been investigated. The surface effects are modeled by using the generalized Young–Laplace equation.
Ehsan Raeisi Estabragh
doaj   +1 more source

An Ultra-Wideband Vivaldi Antenna System for Long-Distance Electromagnetic Detection

open access: yesApplied Sciences, 2022
Enlarging or reducing the antenna beam width of antennas can improve the positioning capability of detection systems. A miniaturized and easily fabricated ultra-wideband (UWB) antenna system for long-distance electromagnetic detection is proposed in this
Jinjing Ren   +5 more
doaj   +1 more source

Atomic and electronic structure of YFeO3 surface with oxygen vacancies

open access: yesSt. Petersburg Polytechnical University Journal: Physics and Mathematics, 2022
The atomic and electronic structure of YFeO3 surfaces at the formation of oxygen vacancies are investigated by the methods of quantum-mechanical calculations. The (100), (001), and (010) surfaces are considered.
Gnidenko Anton, Chigrin Pavel
doaj   +1 more source

Flexoelectric and surface effects on a cracked piezoelectric nanobeam: Analytical resonant frequency response [PDF]

open access: yesArchive of Mechanical Engineering, 2019
A nanoscale beam model containing defect under the piezoelectricity considering the surface effects and flexoelectricity is established on the framework of Euler-Bernoulli theory.
Marzie Bastanfar   +3 more
doaj   +1 more source

Surface Spin-Valve Effect [PDF]

open access: yesNano Letters, 2007
5 pages, 4 figs, to be published in Nano ...
Yanson, I. K.   +6 more
openaire   +3 more sources

Atomic Mechanisms of Crystallization in Nano-Sized Metallic Glasses

open access: yesCrystals, 2022
Understanding crystallization mechanisms in nano-sized metallic glasses (MGs) is important to the manufacturing and application of these new nanomaterials that possess a unique combination of structural and functional properties.
Donghua Xu   +3 more
doaj   +1 more source

Improved parameterization of snow albedo in Noah coupled with Weather Research and Forecasting: applicability to snow estimates for the Tibetan Plateau [PDF]

open access: yesHydrology and Earth System Sciences, 2021
Snow albedo is important to the land surface energy balance and to the water cycle. During snowfall and subsequent snowmelt, snow albedo is usually parameterized as functions of snow-related variables in land surface models.
L. Liu   +17 more
doaj   +1 more source

Surface Effects on Anisotropic Photoluminescence in One‐Dimensional Organic Metal Halide Hybrids

open access: yesSmall Structures, 2023
1D organic metal halide hybrids (OMHHs) exhibit strongly anisotropic optical properties, highly efficient light emission, and large Stokes shift, holding promise for novel photodetection and lighting applications.
Luke M. McClintock   +12 more
doaj   +1 more source

Role of Surface Effects in the Vibrational Density of States and the Vibrational Entropy in Spin Crossover Nanomaterials: A Molecular Dynamics Investigation

open access: yesMagnetochemistry, 2021
Size reduction effects on the lattice dynamics of spin crossover (SCO) thin films have been investigated through molecular dynamics (MD) simulations of the density of vibrational states.
Alaa Fahs   +3 more
doaj   +1 more source

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