TiO2 nanoparticles with superior hydrogen evolution and pollutant degradation performance

The human life faces serious energy shortage and environmental pollution problems, therefore developing a facile and environmental friendly strategy for synthesizing nanoparticles (NPs) with improved photocatalytic activity could pave the way for different applications. In the present study, one-pot/in-situ fluorine-free synthesis process has been examined toward the solvothermal production of anatase TiO₂ nanoparticles with exposed facet orientation. This is an aim to achieve the excellent photocatalytic/photoelectrocatalytic performance. Most importantly addressing the global energy shortage, the synthesized TiO₂ NPs represent superior performance in photoelectrocatalytic water splitting toward hydrogen production. The overpotential required to drive the hydrogen evolution reaction was −391, −346 and −283 mV vs. Ag/AgCl for P25, cubic and truncated octahedral NPs, respectively. Additionally, TiO₂ NPs with exposed facets represent excellent photocatalytic performance toward environmental purification. As synthesized nanoparticles was examined via photocatalytic degradation of Acid Blue 5 and photocatalytic removal of NO gas. The enhanced photocatalytic and photoelectrocatalytic performance are associated to the effect of exposed facet orientation of final nanoparticles.     

Crystal anisotropy-dependent shear angle variation in orthogonal cutting of single crystalline copper

Shear deformation that dominates elementary chip formation in metal cutting greatly relies on crystal anisotropy. In the present work we investigate the influence of crystallographic orientation on shear angle in ultra-precision orthogonal diamond cutting of single crystalline copper by joint crystal plasticity finite element simulations and in-situ experiments integrated in scanning electron microscope. In particular, the experimental cutting conditions including a straight cutting edge are the same with that used in the 2D finite element simulations. Both simulations and experiments demonstrate a well agreement in chip profile and shear angle, as well as their dependence on crystallography. A series of finite element simulations of orthogonal cutting along different cutting directions for a specific crystallographic orientation are further performed, and predicated values of shear angle are used to calibrate an extended analytical model of shear angle based on the Ernst–Merchant relationship.     

Synthesis of V-doped SiC powder for growth of semi-insulating SiC crystals

V-doped semi-insulating (VDSI) SiC crystal is a promising substrate for high-frequency electronic devices achieved using GaN epitaxial films. However, V doping in a SiC crystal is difficult to control owing to the different sublimation temperatures of VC and SiC. The amount of V changes depending on the growth sequence, which has been a significant concern in VDSI SiC substrates in terms of wafer reliability.In this study, therefore, we aimed to synthesize a single source by vaporizing Si, C, and V under the same conditions to improve the doping issue in VDSI SiC. We synthesized V-doped SiC powder as the starting material for VDSI SiC substrate based on thermodynamic modeling, and the synthesized powder was used to grow a VDSI SiC crystal via physical vapor transport.Finally, considering the homogeneous V concentration in the grown crystal, the synthesized V-doped SiC was observed to be effective to grow VDSI SiC independent of the growth sequence.     

Anomalous crystal structure of γ" phase in the Mg-RE-Zn(Ag) series alloys:Causality clarified by ab initio study

The crystal structure of the single-unit-cell thickness γ " phase,as a key strengthening phase in Mg-REZn(Ag) series alloys,has been extensively studied,and several structural models have been proposed in the past two decades.However,these reported models,and even the lattice constants at the same proposed structure,are scattered severely,which has led to considerable confusion and not available for further mechanical property simulation and prediction of Mg alloys containing this phase.In this study,by using first-principles calculations,the crystal structure of y" phase is clarified,resolving the discrepancies among different experiments,and its intrinsic mechanical properties have also been studied for the first time.It is verified that the γ " phase contains quasi-five atomic layers,instead of the previously reported tri-layer,and surprisingly,its crystal structure has many variants,which would change with the alloy composition.Besides,with the help of the simulated selected area electron diffraction(SAED) patterns,it is found that the atoms in the central layer remain partially ordered distribution,and this ordered extent primarily depends on the atomic ratio of RE:Zn(Ag) and the solute content in an alloy.That is,the ordered extent increases with decreasing the atomic ratio of RE:Zn(Ag) and/or increasing solute content of alloy,and vice versa.Ag and Zn dissolved in the γ" phase would produce almost opposed mechanical anisotropy for the γ " phase under the identical crystal structure,and the addition of Ag shows more efficient on increasing the shear modulus of γ" phase.     

Coupling in situ experiments and modeling – Opportunities for data fusion,machine learning,and discovery of emergent behavior

This paper reviews recent studies, that not only includes both experiments and modeling components, but celebrates a close coupling between these techniques, in order to provide insights into the plasticity and failure of polycrystalline metals. Examples are provided of studies across multiple-scales, including, but not limited to, density functional theory combined with atom probe tomography, molecular dynamics combined with in situ transmission electron miscopy, discrete dislocation dynamics combined with nanopillars experiments, crystal plasticity combined with digital image correlation, and crystal plasticity combined with in situ high energy X-ray diffraction. The close synergy between in situ experiments and modeling provides new opportunities for model calibration, verification, and validation, by providing direct means of comparison, thus removing aspects of epistemic uncertainty in the approach. Further, data fusion between in situ experimental and model-based data, along with data driven approaches, provides a paradigm shift for determining the emergent behavior of deformation and failure, which is the foundation that underpins the mechanical behavior of polycrystalline materials.     

Effects of Sm-doping on microstructure,magnetic and microwave absorption properties of BiFeO_3

In this paper,polycrystalline samples of Bi_(1-x)Sm_xFeO~3(x=0,0.05,0.1,0.15) were successfully synthesized by sol-gel method.The effects of Sm concentration on the crystal structure,morphology,chemical states,magnetic properties and microwave absorption performance were studied by X-ray diffraction(XRD),scanning electron microscopy(SEM),transmission electron microscopy(TEM),X-ray photoelectron spectroscopy(XPS),a vibrating sample magnetometer(VSM) and a Vector network analyzer(VNA),respectively.The results show that the rare earth Sm doping causes the crystal structure to change.When x≤0.1,Bi_(1-x)Sm_xFeO_3 is the distorted rhombohedral structure with space group R3 c.With the increase of Sm doping amount to x=0.15,the phase structure of Bi_(1-x)Sm_xFeO_3 changes from rhombohedral structure to cubic structure with the space group Pm3 m.The particle size decreases with the increase of the Sm doping amount.The analysis results show that Sm doping can effectively reduce the oxygen vacancies and significantly improve its magnetic properties.The results exhibit that moderately doped rare earth Sm element can effectively improve microwave absorption properties of Bi_(1-x)Sm_xFeO_3 powders.When Sm doping amount of x is 0.1,the Bi_(0.9)Sm_(0.1) FeO_3 compound has good microwave absorption performance,and the minimum reflection loss value of Bi_(0.9)Sm_(0.1)FeO_3 powder reaches about-32.9 dB at11.7 GHz,and its effective absorption bandwidth(RL -10 dB) is 2.6 GHz with the optimal matching thickness of 2.0 mm.     

Influence of bio-clogging on permeability characteristics of soil

It is necessary to enhance the barrier performance of cutoff walls in order to improve the contamination control level, especially for reconstruction or expansion of existing landfill sites. This paper presents a comprehensive laboratory investigation on the synergistic effects of microorganisms and fibers on the hydraulic conductivity of silty sand to evaluate the applicability to the field condition as an alterative barrier material. Inside the soil, the added carbon fibers not only provided good biocompatibility, but also formed spatial three-dimensional network between soil particles to improve the bacterial adhesion that eventually caused 2–3 orders of magnitude decrease in soil permeability. The resistance of the biofilm to extreme conditions was tested by permeation with solutions of different salinity and pH values, and by subjecting specimens to various hydraulic gradients and soil conditions. Despite the microbial growth inhibition occurred at these conditions, however, biofilm can largely remain intact and continue to reduce k, which due to the gradual adaptation of microorganisms to the extreme environment and the gradual recovery of their activity. Results of these tests demonstrate that biofilm treatment may be a feasible technology for creating waste containment barriers in soil.     

Synthesis and characterization of the novel nanostructured NiC carbide obtained by mechanical alloying

In the present work, a comprehensive study of mechanical alloying of Ni-carbon nanotubes (CNT) and Ni-Graphite equiatomic powder mixtures under the same technological modes has provided to reveal the features of using different types of carbon (CNT or graphite) as a charge component. The as-milled powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and magnetometric study. A novel nanoscale fcc NiC monocarbide was synthesized regardless the type of the charge used. According to the XRD study the formation of this phase takes place in two stages. A two-step carbide formation mechanism has been proposed. The associated changes in the nickel lattice, such as changes in the lattice parameter, lattice strain and residual stresses, which led to the formation of NiC monocarbide were also evaluated and discussed. Parameters of the electronic structure of NiC were calculated using the MStudio MindLab 7.0 software package with the experimental data on the crystal structure of the NiC phase obtained as input. Temperature dependencies of magnetic susceptibility of NiC synthesized have been studied up to 950 K. Carbides synthesized were found to be weak ferromagnets at the room temperature and their Curie temperature T_C ranges within 670 – 725 K. The calculated value of the magnetic moment per nickel atom (2.83μ_B) is higher than that of a bulk Ni (1.3μ_B). Likely, the observed increase of μ is caused by the presence of a certain amount of residual single-domain ferromagnetic Ni nanoparticles in the samples synthesized.