Publications by authors named "Chuanguo Zhang"

Article Synopsis
  • High-density dislocations in GaN negatively impact the performance of GaN-based devices, with current research mostly focusing on threading dislocations in bulk crystals.
  • This study shifts the focus to basal dislocations, which have been observed experimentally but are less understood.
  • Findings suggest that growing GaN on N-polar AlN at 1900 K enhances the crystal quality by increasing wurtzite structure content and reducing dislocation density.
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Prostate cancer (PCa) ranks as the second most prevalent malignancy among males worldwide at present, and its prevalence keeps rising. Focal therapy not only results in tumor necrosis but also encourages the release of autoantigens originating from the tumor into the bloodstream and activates the host immune system to effectively fight the tumor. However, focal therapy alone may not achieve the total ablation of cancer cells and may cause locoregional recurrence.

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Prior to entering the water body, microplastics (MPs) are mostly collected at the sewage treatment plant and the biological treatment unit is the sewage treatment facility's central processing unit. This review aims to present a comprehensive analysis of the detrimental impacts of MPs on the biological treatment unit of a sewage treatment plant and it covers how MPs harm the effluent quality of biological treatment processes. The structure of microbial communities is altered by MPs presence and additive release, which reduces functional microbial activity.

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Context: Molecular dynamics simulations are performed to clarify the deformation mechanism of β-HMX crystal in the [Formula: see text] space group setting under uniaxial compression. Nanoscale shear bands whose internal structure is regular enough to form twin with parent structure were found under high strain rate loading in the [010] direction. These deformation twins are formed by the change of lattice orientation due to atomic translation under shear stress, with [Formula: see text] (or [Formula: see text] twin planes and [Formula: see text] (or [Formula: see text] twin directions.

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To investigate effects of size and spatial distributions of defects from primary damage to annealing of an individual cascade, molecular dynamics (MD) and object kinetic Monte Carlo (OKMC) are applied for simulating cascade generation and annealing. MD cascade simulations of tungsten are carried out with two typical embedded atom method potentials for cascade energies in the range from 0.1 to 100 keV at 300 K.

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Distributions of Fe in MgO containing Mg vacancy, O vacancy, and Schottky defect are investigated based on the density functional theory (DFT). Our results show that since Mg vacancy will remove electrons from MgO, Fe tends to get close to Mg vacancy but far from O vacancy. The Mg vacancy can decrease the magnetic moment of iron and change its valence state from 2+  to 3+, which leads to ~5% decrease of Fe-O bond length comparable to the effect of 30 GPa external pressure.

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Pressure-induced spin crossover behaviors of Fe-bearing MgO were widely investigated by using an LDA  +  U functional for describing the strongly correlated Fe-O bonding. Moreover, the simulated spin crossover pressures depend on the applied U values, which are sensitive to environments and parameters. In this work, the spin crossover pressures of (Mg ,Fe )O are investigated by using the hybrid functional with a uniform parameter.

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