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Article
Structural transition, mechanical properties and electronic structure of the ZnO under high pressure via first-principles investigations
The crystal structures, transition paths, elastic properties, and electronic structures are investigated comprehensively by first-principles calculations for ZnO. The sequence of the cohesion energy in ZnO pha...
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Article
Prediction of the pressure-induced phase transition, mechanical properties, and electronic structures for ScB4 via first principle calculations
The structural phase transition, phase stability, mechanical properties, and electronic structures of ScB4 are investigated in the pressure range of 0–100 GPa via first principle calculations. A new ground-state ...
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Article
Development of the new interatomic potentials for the wurtzite phase of ZnO
A new set of interatomic potentials combining the Morse and Born–Mayer forms is developed via the empirical fitting and ab initio energy surface fitting for the wurtzite phase of ZnO. The fitting values are ex...
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Article
Effect of Sc, V, Zr, and Hf do** on the mechanical properties of TiB3 under high pressure
The influence of 3d-Sc, 3d-V, 4d-Zr, and 5d-Hf do** on the mechanical properties of the TiB3 has been investigated in the pressure range of 0–200 GPa by using first-principles calculations. On the basis of veri...
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Article
The low-frequency bandgap characteristics of a new three-dimensional multihole phononic crystal
The development of sub-wavelength acoustic metamaterials such as local resonance phononic crystals is leading new research directions of elastic wavefront control as well as noise attenuation and vibration red...
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Article
Extending and lowering bandgaps by cross-like beams phononic crystals with perforation
Aiming at the problem of low-frequency vibration and noise control in the engineering applications, a new two-dimensional phononic crystal consisting of cross-like copper beams embedded in silicon rubber plate...
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Article
Effect of melt-spinning speed on the microstructure and magnetic properties of Al–Cu–Fe alloy-doped SmCo5 ribbons
Multielement alloy do** is the feature of this paper, and disclosing the relationship between non-equilibrium microstructure and magnetic properties after rapid cooling is the key point. 3 wt% eutectic Al82.8Cu
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Article
Microstructure and properties of Al2O3-ZrO2-Y2O3 coatings during high temperature and thermal shock resistance
Al2O3-ZrO2 composite coatings were fabricated by plasma spraying Al2O3-ZrO2 composite powders with and without Y2O3 addition to learn the influence of Y2O3 on high temperature stability of the coating. The two co...
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Article
Simulation and experimental investigations of thermal degradation of polystyrene under femtosecond laser ablation
In the present work, the underlying mechanisms of femtosecond laser ablation of atactic polystyrene with a molecular weight of 10,000 g/mol are elucidated by large-scale molecular dynamics simulations, with an...
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Article
One-step hydrothermal synthesis of visible-light-driven In2.77S4/SrCO3 heterojunction with efficient photocatalytic activity for degradation of methyl orange and tetracycline
The In2.77S4/SrCO3 heterojunction photocatalyst had been prepared by one-step hydrothermal method. X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectrometry, UV–Vis diffuse reflectance...
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Article
Effect of external applied steady magnetic field on the morphology of laser welding joint of 4-mm 2024 aluminum alloy
Additional external steady magnetic fields were applied to investigate the influence of a steady magnetic field aligned perpendicular to the welding direction during laser beam welding of 2024 aluminum alloy....
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Article
Fabrication of graphene oxide-modified chitosan for controlled release of dexamethasone phosphate
Functionalized graphene oxide with its unique physical and chemical properties is widely applied in biomaterials, especially in drug carrier materials. In the past few years, a number of different drugs have b...