Electro-optical properties,decomposition pathways and the hydrostatic pressure-dependent behaviours of a double-cation hydrogen storage material of $$\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}$$

Electro-optical properties, the decomposition pathways and the pressure-dependent behaviours of \(\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}\) have been investigated using a first-principle plane-wave pseudopotential method. \(\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}\) is a kind of double-cation borohydride, consisting of distorted tetrahedral anions \([\hbox {Al}(\hbox {BH}_{4})_{4}]^{-}\) and cations \([\hbox {Li}_{4}(\hbox {BH}_{4})]^{3+}\), which obeys the stability criteria of decomposition reactions. Herein, two possible decomposition reactions of the compound are proposed, which release 18 hydrogen molecules (about 12.03 wt%) in the first reaction and 24 hydrogen molecules (about 16.04 wt%) in the second reaction. On increasing the pressure on the structure, the lattice parameter, the volume of unit cell, the quasiparticle band gap and also enthalpy of the system decrease nearly monotonically; therefore, the acceptor levels gradually get filled and the Fermi level shifts upward. Results of computational investigations of the structural, electronic and thermodynamic parameters and their pressure-dependent behaviours indicate that \(\hbox {Al}_{3}\hbox {Li}_{4}(\hbox {BH}_{4})_{13}\) has intriguing properties. Therefore, it would be a very promising material for hydrogen storage technology.     

An arbitrary Lagrangian‐Eulerian framework with exact mass conservation for the numerical simulation of 2D rising bubble problem

An arbitrary Lagrangian‐Eulerian framework, which combines the advantages of both Lagrangian and Eulerian methods, is presented to solve incompressible multiphase flow problems. The incompressible Navier‐Stokes equations are discretized using the side‐centered unstructured finite volume method, where the velocity vector components are defined at the midpoint of each cell face, while the pressure term is defined at element centroids. The pressure field is treated to be discontinuous across the interface with the discontinuous treatment of density and viscosity. The surface tension term at the interface is treated as a force tangent to the interface and computed with several different approaches including the use of Legendre polynomials. In addition, the several different discretizations of interface kinematic boundary conditions are investigated. For the application of the interface kinematic boundary condition, a special attention is given to satisfy both local and global discrete geometric conservation law to conserve the total mass of both species at machine precision. The mesh vertices are deformed by solving the linear elasticity equations due to the normal displacement of interface. The resulting algebraic equations are solved in a fully coupled manner, and a one‐level restricted additive Schwarz preconditioner with a block‐incomplete factorization within each partitioned subdomain is used for the resulting fully coupled system. The method is validated by simulating the classical benchmark problem of a single rising bubble in a viscous fluid due to buoyancy. The results of numerical simulations are found out to be in an excellent agreement with the earlier results in the literature. The mass of the bubble is conserved, and discontinuous pressure field is obtained to avoid errors due to the incompressibility condition in the vicinity of the interface, where the density and viscosity jumps occur.     

Conductance-capacitance and voltage behavior of 1% Os-doped YMnO3/p-Si contacts under varying frequencies

The admittance characterizations of the ferroelectric Perovskite Materials 1% Osmium (Os)-doped YMnO₃ and p-Si contacts were conducted by capacitance–voltage (C–V) and conductance–voltage (G–V) curves at various frequencies. In measurements performed in this study, it was seen that the device behaves like a metal/oxide layer/semiconductor (MOS) or a metal/insulator layer/semiconductor (MIS) capacitor, just because of the ferroelectric thin film at the metal/Si substrate interface. Therefore, an accumulation region (saturation region) formed in the forward bias C–V and G–V curves at each frequency. The accumulation region series resistance value R_sc was determined from the C–V and G–V curves. The R_sc value ranged from 652 Ω at 20 kHz to 56 Ω at 1000 kHz. Furthermore, the series resistance R_s versus V curves with frequency as a parameter were plotted from the C–V and G–V data. A peak appeared around 0.0 V in the R_s vs V curve at each frequency. The peak position of the R_s shifted towards positive voltages from approximately ? 0.2 V at 20 kHz to about 0.10 V at 1000 kHz. The peak position in the corrected conductance vs voltage curves shifted towards positive voltages from approximately 0.0 V at 20 kHz to about 0.20 V at 1000 kHz. It was seen that the series resistance effect caused the highest error in the capacitance occurs in accumulation and in some part of the depletion region at C–V and G–V results depending on frequency. So to conclude, it is not possible to disregard the series resistance everytime. Therefore, the series resistance must be measured and must be considered at the measured admittance.

     

Polypyrrole doped graphene nanocomposites as advanced positive electrodes for vanadium redox flow battery

Obtaining high catalytic activity and cycling stability of electrodes play a crucial role in vanadium redox flow batteries (VRFBs). However, some limitations, such as cost and required multiple synthesis procedures force us as an alternative solution; polypyrrole–sulfur-doped graphenes (PPy–SGs) are synthesized with a user-friendly electrochemical method and applied as a positive electrode for VRFB for the first time in the literature. Polypyrrole and sulfur-doped graphenes are formed on the graphite electrodes simultaneously in a 0.001 M pyrrole and 1.0 M H₂SO₄ solution at room temperature by a single-step cyclic voltammetry (CV) process. The electrode surface modification parameters such as the amount of S-doping, defect, and functionality rate of polymers and graphene are controlled by changing the cycle numbers at the scanned in a specific potential range. FTIR, Raman, XPS, SEM, and CV methods show the formation of PPy and sulfur-doped graphene layers on graphite electrode surfaces. The effects of PPy–SGs were investigated in VRFB for VO⁺²/VO₂⁺ redox reactions. The electrochemical measurements of the PPy–SGs are carried out by CV and electrochemical impedance spectroscopy (EIS) analysis. According to CV results, PPy–SG20 demonstrates the best performance as a positive electrode material of the VRFB. This can be attributed to the significant improvement in the electrochemical kinetics by polypyrrole decorating graphene and enhancing active sites.

     

Microwave treatment and fluorine addition on Co-B catalyst to improve the hydrogen production rate

In this paper, microwave heating treatment process and fluorine addition over Co-B-F catalyst was applied to produce hydrogen via the hydrolysis of NaBH₄. The effects of microwave heating treatment time, microwave heating treatment power, microwave inert gases and temperature on the catalyst were studied. X-ray absorption spectrometer, scanning electron microscopy coupled to energy-dispersive spectroscopy, nitrogen adsorption analyzer and infrared spectrometer were performed for the chemical characterization of the catalysts. It was found that Co-B-F and microwave-treated Co-B-F catalysts exhibited excellent catalytic activity to produce hydrogen. The rates of the maximum hydrogen production for untreated and microwave-treated Co-B-F catalysts are 1868 and 3400?mL/g/min, respectively.     

Smart Bandage for Monitoring and Treatment of Chronic Wounds

Chronic wounds are a major health concern and they affect the lives of more than 25 million people in the United States. They are susceptible to infection and are the leading cause of nontraumatic limb amputations worldwide. The wound environment is dynamic, but their healing rate can be enhanced by administration of therapies at the right time. This approach requires real‐time monitoring of the wound environment with on‐demand drug delivery in a closed‐loop manner. In this paper, a smart and automated flexible wound dressing with temperature and pH sensors integrated onto flexible bandages that monitor wound status in real‐time to address this unmet medical need is presented. Moreover, a stimuli‐responsive drug releasing system comprising of a hydrogel loaded with thermo‐responsive drug carriers and an electronically controlled flexible heater is also integrated into the wound dressing to release the drugs on‐demand. The dressing is equipped with a microcontroller to process the data measured by the sensors and to program the drug release protocol for individualized treatment. This flexible smart wound dressing has the potential to significantly impact the treatment of chronic wounds.     

Multi-objective feasibility enhanced particle swarm optimization

This article introduces a new method entitled multi-objective feasibility enhanced partical swarm optimization (MOFEPSO), to handle highly-constrained multi-objective optimization problems. MOFEPSO, which is based on the particle swarm optimization technique, employs repositories of non-dominated and feasible positions (or solutions) to guide feasible particle flight. Unlike its counterparts, MOFEPSO does not require any feasible solutions in the initialized swarm. Additionally, objective functions are not assessed for infeasible particles. Such particles can only fly along sensitive directions, and particles are not allowed to move to a position where any previously satisfied constraints become violated. These unique features help MOFEPSO gradually increase the overall feasibility of the swarm and to finally attain the optimal solution. In this study, multi-objective versions of a classical gear-train optimization problem are also described. For the given problems, the article comparatively evaluates the performance of MOFEPSO against several popular optimization algorithms found in the literature.     

Microfluidics‐Enabled Multimaterial Maskless Stereolithographic Bioprinting

A stereolithography‐based bioprinting platform for multimaterial fabrication of heterogeneous hydrogel constructs is presented. Dynamic patterning by a digital micromirror device, synchronized by a moving stage and a microfluidic device containing four on/off pneumatic valves, is used to create 3D constructs. The novel microfluidic device is capable of fast switching between different (cell‐loaded) hydrogel bioinks, to achieve layer‐by‐layer multimaterial bioprinting. Compared to conventional stereolithography‐based bioprinters, the system provides the unique advantage of multimaterial fabrication capability at high spatial resolution. To demonstrate the multimaterial capacity of this system, a variety of hydrogel constructs are generated, including those based on poly(ethylene glycol) diacrylate (PEGDA) and gelatin methacryloyl (GelMA). The biocompatibility of this system is validated by introducing cell‐laden GelMA into the microfluidic device and fabricating cellularized constructs. A pattern of a PEGDA frame and three different concentrations of GelMA, loaded with vascular endothelial growth factor, are further assessed for its neovascularization potential in a rat model. The proposed system provides a robust platform for bioprinting of high‐fidelity multimaterial microstructures on demand for applications in tissue engineering, regenerative medicine, and biosensing, which are otherwise not readily achievable at high speed with conventional stereolithographic biofabrication platforms.     

Naturally nonanemic dialysis patients: Who are they?

Introduction Not only anemia, but also erythropoiesis stimulating agent (ESA)s for treating anemia may adversely affect prognosis of chronic hemodialysis patients. Various features of naturally (with no ESA usage) nonanemic patients may be useful for defining several factors in the pathogenesis of anemia. Methods Data, retrieved from the European Clinical Database (EuCliD)‐Turkey on naturally nonanemic prevalent chronic hemodialysis patients (n: 201) were compared with their anemic (those who required ESA treatment) counterparts (n: 3948). Findings Mean hemoglobin values were 13.5 ± 0.8 and 11.5 ± 0.9 g/dL in nonanemic and anemic patients, respectively (P < 0.001). Nonanemia status was associated with younger age, male gender, longer dialysis vintage, nondiabetic status, more frequent hepatitis‐C virus seropositivity and more frequent arteriovenous fistula usage. Serum ferritin and CRP levels and urea reduction ratio were higher in ESA‐requiring patients. One (99%) and two (95.3%) years survival rates of the “naturally nonanemic” patients were superior as compared to anemics (91.0% and 82.6%, respectively), (P < 0.001). Discussion “Naturally nonanemic” status is associated with better survival in prevalent chronic hemodialysis patients; underlying mechanisms in this favorable outcome should be investigated by randomized controlled trials including large number of patients.     

Esophageal perforation during cuffed tunneled catheter introduction: First case in literature

The percutaneous catheterization of central veins is increasingly used in nephrological practice as a temporary or permanent vascular access. Some mechanical complications may occur during insertion of catheter such as misplaced catheter. In this report, we present a case that was misplaced the catheter in esophagus and to analyze the reason of catheter malposition during percutaneous tunneled hemodialysis catheter insertion.