Local structural changes due to the electric field-induced migration of oxygen vacancies at Fe-doped SrTiO3 interfaces

We report on our study of dc voltage-induced structural changes at reduced and oxidized Fe-doped SrTiO₃ (Fe:STO) electrode interfaces using second harmonic generation (SHG) together with photoluminescence (PL) method. We show that oxygen vacancy defects play a critical role in determining the local electrical and structural properties of interfacial depletion regions at Schottky junctions. The SHG results show that the dc electric field causes oxygen ions and vacancies to displace toward the anode and cathode in the low field regime, respectively. This process forms electrostrictive distortions within local interfacial depletion regions which are described by Fe:Ti-O bond stretching and bending. Differences in the EFISHG responses from the oxidized and reduced crystal interfaces are explained according to local oxygen vacancy concentrations and dynamics and their effects on the Schottky barrier heights and depletion region widths at each interface. These results are further supported by our PL measurements. Oxygen ion migration toward the Fe:STO surface leads to enhanced fluorescence intensities from in-gap acceptor states. We demonstrate that SHG and PL measurements are well-suited for understanding and resolving the underlying causes of dielectric breakdown processes and device failure brought on by dc electric field and ionic defect migrations in perovskite-type electroceramics.     

Computing the damage and fracture energy in a coal mass based on joint density

Coal joints and cleats are geological discontinuities that are the most important factors that affect the mechanical responses of a coal mass under stress. The joint and coal mass interaction and the mode of failure dominate the mechanical behaviour of jointed coal masses, and therefore the stability of coal excavations. The shear or mixed shear/tensile failure changes to tensile failure by increasing the confining pressure, discontinuity length and angle. This paper extends a thermodynamic approach to constitutive modelling of the coal mass by developing local and non-local damage models based on the joint and cleat density and the dip angle. A consistent and rigorous statistical framework is constructed, which incorporates both local and non-local features into the constitutive modelling. This is an important consideration in developing damage constitutive models based on the trajectory of the failure surfaces in a coal mass.An equation is derived to calculate the fracture energy which is a function of the joint density either in a single direction or crossed conditions.     

Numerical and analytical simulation of the structural behaviour of fully grouted cable bolts under impulsive loading

Designing reliable yielding support system to mitigate the effect of the kinetic energy in burst-prone conditions in mining and tunneling excavations is one of the challenges for geotechnical engineers. A combination of the support elements can be used to increase rock strength and minimise the displacement of unstable rock mass. It is important to understand how the support system works to ensure the stability of underground excavations. Cable bolts have been commonly used as an effective underground support system and an element of reinforcement to improve rock stability. Cable bolts are usually considered to be subjected to static loads under relatively low stress environments, however, in burst-prone conditions, they might be subjected to dynamic loads. Cable bolts as well as other support elements are used in burst-prone conditions to absorb the kinetic energy of the removed rock to avoid sudden and violent failures. This paper develops numerical and a novel analytical simulation technique for cable bolts to assess their structural behaviour under static and dynamic loading conditions. The numerical and analytical models are then validated against experimental observations reported in the literature, which demonstrates the reliability of the proposed models.     

Native T1 mapping of the breast in MRI to differentiate fibroadenomas from benign phyllodes tumors: a preliminary study

Magnetic Resonance Materials in Physics, Biology and Medicine - Both fibroadenomas (FAs) and phyllodes tumors (PTs) are classified as fibroepithelial lesions. PTs are rare fibroepithelial neoplasms...     

Remarkable visible-light induced hydrogen generation with ZnIn2S4 microspheres/CuInS2 quantum dots photocatalytic system

A new and active material in the form of ZnIn₂S₄ microspheres decorated by CuInS₂ quantum dots have been obtained by hydrothermal method for the first time. The optimum amount of CuInS₂ quantum dots (1.13 wt.%) introduced into rection medium during ZnIn₂S₄ microspheres synthesis increased the photocatalytic H₂ generation rate by 2.5 times than that of bare ZnIn₂S₄ photocatalysis under visible light irradiation. This sample exhibited strong photoactivity in the extended visible range up to 540 nm with 30.6% apparent quantum efficiency (λ = 420 nm).     

Revisiting the Chemical Stability of Germanium Selenide (GeSe) and the Origin of its Photocatalytic Efficiency

Recently, germanium selenide (GeSe) has emerged as a promising van der Waals semiconductor for photovoltaics, solar light harvesting, and water photoelectrolysis cells. Contrary to previous reports claiming perfect ambient stability based on experiments with techniques without surface sensitivity, here, by means of surface-science investigations and density functional theory, it is demonstrated that actually both: i) the surface of bulk crystals; and ii) atomically thin flakes of GeSe are prone to oxidation, with the formation of self-assembled germanium-oxide skin with sub-nanometric thickness. Surface oxidation leads to the decrease of the bandgap of stoichiometric GeSe and GeSe_1−x, while bandgap energy increases upon surface oxidation of Ge_1−xSe. Remarkably, the formation of a surface oxide skin on GeSe crystals plays a key role in the physicochemical mechanisms ruling photoelectrocatalysis: the underlying van der Waals semiconductor provides electron–hole pairs, while the germanium-oxide skin formed upon oxidation affords the active sites for catalytic reactions. The self-assembled germanium-oxide/germanium-selenide heterostructure with different bandgaps enables the activation of photocatalytic processes by absorption of light of different wavelengths, with inherently superior activity. Finally, it is discovered that, depending on the specific solvent-GeSe interaction, the liquid phase exfoliation of bulk crystals can induce the formation of Se nanowires.     

Optimization of Ultrasound-Assisted Alkali Neutralization in the Refining of Safflower Oil to Minimize the Loss of Bioactive Compounds

In this study, ultrasound-assisted (UA) neutralization parameters are optimized using the response surface methodology to develop a novel alkali neutralization method based on the minimal refining concept. Sodium hydroxide (NaOH), magnesium oxide (MgO), and calcium hydroxide (Ca(OH)₂) are used in both the traditional (TR) and UA neutralizations. Optimum probe depth, duration, and intensity levels are calculated as 3.7 cm, 25 s, and 54.3%, respectively, for UA neutralization with NaOH, which is more successful at free fatty acid (FFA) reduction and total phenolic content (TPC) retention than MgO and Ca(OH)₂. Validation results of optimum conditions show that lowest average FFA content (0.29%) and highest average TPC (211.2 mg kg⁻¹) are determined for the UA-neutralized safflower oil samples. The comparison of all the neutralization experiments reveal that the UA neutralization under optimum conditions using NaOH reduced 82.8% of the FFA content, whereas the TR alkali neutralization reduced the FFA content at a maximum of only 47.8%. Practical Applications: From the results, it can be inferred that the UA neutralization exhibits good performance in FFA content reduction and bioactive compound retention while offering a good solution within the concept of minimal refining.     

A new tip correction for actuator line computations

The actuator line method (ALM) is today widely used to represent wind turbine loadings in computational fluid dynamics (CFD). As opposed to resolving the whole blade geometry, the methodology does not require geometry‐fitted meshes, which makes it fast to apply. In ALM, tabulated airfoil data are used to determine the local blade loadings, which subsequently are projected to the CFD grid using a Gaussian smearing function. To achieve accurate blade loadings at the tip regions of the blades, the width of the projection function needs to be narrower than the local chord lengths, requiring CFD grids that are much finer than what is actually needed in order to resolve the energy containing turbulent structures of the atmospheric boundary layer (ABL). On the other hand, employing large widths of the projection function may result in too large tip loadings. Therefore, the number of grid points required to resolve the blade and the width of the projection function have to be restricted to certain minimum values if unphysical corrections are to be avoided. In this paper, we investigate the cause of the overestimated tip loadings when using coarse CFD grids and, based on this, introduce a simple and physical consistent correction technique to rectify the problem. To validate the new correction, it is first applied on a planar wing where results are compared with the lifting‐line technique. Next, the NREL 5‐MW and Phase VI turbines are employed to test the correction on rotors. Here, the resulting blade loadings are compared with results from the blade‐element momentum (BEM) method. In both cases, it is found that the new correction greatly improves the results for both normal and tangential loads and that it is possible to obtain accurate results even when using a very coarse blade resolution.     

A Blood Bank Network Design Problem with Integrated Facility Location,Inventory and Routing Decisions

Networks and Spatial Economics - We aim to design an effective supply chain network for a blood distribution system to satisfy the needs of hospitals in a certain region. In the analyzed current...