Impact of defects on the decomposition of chemical warfare agent simulants in Zr-based metal organic frameworks

Metal organic frameworks (MOFs) containing zirconium secondary building units (SBUs) in UiO-67 and related MOFs, are highly active for neutralizing both the chemical warfare agents and simulants, such as dimethyl methylphosphonate (DMMP). However, two recent publications gave conflicting reports of DMMP reaction with UiO-67 under ultra high vacuum (UHV) conditions, with one reporting chemisorption and reaction (Wang et al., J Phys Chem C, 2017, 121, 11261–11272) and the other reporting only physisorption and reversible desorption (Ruffley et al., J Phys Chem C, 2019, 123, 19748–19758) from very similar temperature programmed desorption experiments. We show that the discrepancy between these experiments may be explained by different levels of missing linker defects in the UiO-67 samples. We present density functional theory calculations showing that SBU sites having two-adjacent missing linkers exhibit reaction barriers that are about 30 kJ/mol lower than SBU sites having a single missing linker. We also show that topology of the undercoordinated sites plays an important role in the reaction barrier under UHV conditions.     

A simulation study of protons heated by left/right-handed Alfvén waves generated by electromagnetic proton-proton instability

Most protons in the solar wind belong to one of two different populations,the less dense beam protons and the denser core protons.The beam protons,with a velocity of(1-2)VA(VA is the local Alfvén speed),always drift relative to the core protons;this kind of distribution is unstable and stimulates several kinds of wave mode.In this study,using a 2D hybrid simulation model,we find that the original right-handed elliptically polarized Alfvén waves become linearly polarized,and eventually become right-handed and circularly polarized.Given that linearly polarized waves are a superposition of left-handed and right-handed waves,cyclotron resonance in the right-handed/left-handed component heats beam/core protons perpendicularly.The resonance between beam protons and right-handed polarized waves is stronger when the beam relative density is lower,resulting in more dramatic perpendicular heating of beam protons,whereas the situation is reversed when the beam relative density is larger.     

Boosted 2D graphene nanosheets by organic-inorganic hybrid cross-linker for an efficient and stable supercapacitor

Using covalent graphene derivatives in energy storage applications is promising. From this view, covalently cross-linked graphene oxide (GO) nanosheets are designed using polyoligomeric silsesquioxanes-propyl-NH₂ (POPN). Then, by incorporating cobalt sulfide nanoparticles into the porous scaffold, a high-value nanocomposite is formed. In a typical three-electrode cell, this nanocomposite declared substantial specific capacity of 454 and 438 Fg^-1 using cyclic voltammetry (CV) and charge-discharge (GCD) assessments. The device is assembled via two identical electrodes containing RGO-SiO₃-NH2-poss-NH2-SiO₃-RGO/cobalt sulfide (RGO-Si-POPN-Si-RGO/CoS₂). Utilizing CV and GCD methods, specific capacitances of 328 and 315 Fg^-1 are realized at a sweep rate and current density of 2 mVs^?1 and 0.5 Ag^-1, respectively. The device presents desirable energy density of 18.5 Whkg^?1 at the power density of 325 Wkg^-1. More impressively, around 97.9% of the specific capacitance is retained after 5000 charge-discharge cycles. The results confirm exceptional capacitive capabilities and super stability of the nanocomposite suitable for practical systems.     

Real time power management strategy for fuel cell hybrid electric bus based on Lyapunov stability theorem

The fuel cell/battery durability and hybrid system stability are major considerations for the power management of fuel cell hybrid electric bus (FCHEB) operating on complicated driving conditions. In this paper, a real time nonlinear adaptive control (NAC) with stability analyze is formulated for power management of FCHEB. Firstly, the mathematical model of hybrid power system is analyzed, which is established for control-oriented design. Furthermore, the NAC-based strategy with quadratic Lyapunov function is set up to guarantee the stability of closed-loop power system, and the power split between fuel cell and battery is controlled with the durability consideration. Finally, two real-time power management strategies, state machine control (SMC) and fuzzy logic control (FLC), are implemented to evaluate the performance of NAC-based strategy, and the simulation results suggest that the guaranteed stability of NAC-based strategy can efficiently prolong fuel cell/battery lifespan and provide better fuel consumption economy for FCHEB.     

Numerical investigation of a convective hybrid nanofluids around a rotating sheet

Hybrid nanofluids are formulated with various kinds of base fluids. They are designed to provide good heat transfer performance. They can achieve this by dispersing various kinds of nanoparticles in the base materials. This new technology of formulating hybrid nanofluids has a wide range of applications in various industries such as solar energy, medical equipment, and aerospace. Keeping these applications in view, this study provides an insight into the effects of convective heat transport on a Hybrid nanofluid, across a rotating sheet with a variable heat source. In this investigation, the governing boundary layer partial differential equations were modified into the ordinary differential equations, by using the proper similarity transformations. Later, they were solved numerically, with the support of the Lobatto IIIA technique in MATLAB. The influence of the Richardson number on flow parameters was studied, and it was discovered that increasing Ri increases the velocity while decreasing temperature and concentration profiles. The impact of various other flow parameters on the flow fields and also on the behavior of Nusselt number, coefficient skin friction, and Sherwood number were studied and represented graphically. The outcomes were found to be in excellent accord when compared with quoted studies.     

Engineering biphasic hybrid phosphide nanowires as efficient electrocatalyst for hydrogen evolution reaction: Experimental and theoretical insights

Development of highly efficient and cheap electrocatalysts towards the hydrogen evolution reaction (HER) is of great importance for electrochemical water splitting. Herein, hybrid Cu/NiMo-P nanowires on the copper foam were successfully fabricated via a simple two-step method. The hierarchically structured Cu/NiMo-P exhibits large surface areas and rapid electron transfer ability, leading to enhanced catalytic activity. The as-prepared Cu/NiMo-P electrodes need overpotentials of 34 mV and 130 mV to obtain 10 mA cm^?2 for HER in acidic and alkaline solutions, respectively. Density functional theory (DFT) calculations reveal that the Cu/NiMo-P hybrid has a more thermo-neutral hydrogen adsorption free energy and enhanced charge transfer ability as well.     

Predetermination of potential plastic hinges on reinforced concrete frames using GFRP reinforcement

In the past, glass fiber-reinforced polymer (GFRP)-reinforcement has been successfully applied in reinforced concrete (RC) structures where corrosion resistance, electromagnetic neutrality, or cuttability were required. Previous investigations suggest that the application of GFRP in RC structures could be advantageous in areas with seismic activity due to their high deformability and strength. However, especially the low modulus of elasticity of GFRP limited its wide application as GFRP-reinforced members usually exhibit considerably larger deformations under service loads than comparable steel-reinforced elements. To overcome the aforementioned issues, the combination of steel and GFRP reinforcement in hybrid RC sections has been investigated in the past. Based on this idea, this paper presents a novel concept for the predetermination of potential plastic hinges in RC frames using GFRP reinforcement. To analyze the efficiency of the concept, nonlinear finite element simulations were performed. The results underscore the high efficiency of hybrid steel-GFRP RC sections for predetermining potential plastic hinges on RC frames. The results also indicate that the overall seismic behavior of RC structures could be improved by means of GFRP as both the column base shear force during the seismic activity as well as the plastic deformations after the earthquake were considerably less pronounced than in the steel-reinforced reference structure.     

A hybrid homogeneously weighted moving average control chart for process monitoring: Discussion

The sensitivity of a monitoring scheme depends on many factors including the variance of the charting statistic which is very important in the computation of the control limits. This paper discusses the computation of the variance of the recently proposed hybrid homogeneously weighted moving average (HHWMA) $\overline{X}$ scheme which was based on an incorrect assumption. The correct variance is used to evaluate the run-length characteristics of the HHWMA $\overline{X}$ scheme. It is observed that the incorrect variance has a significant impact on the sensitivity (or performance) of the HHWMA $\overline{X}$ scheme.