Swapping catalytic active sites from cationic Ni to anionic F in Fe–F–Ni3S2 enables more efficient alkaline oxygen evolution reaction and urea oxidation reaction

Electrolysis of water for producing hydrogen instead of traditional fossil fuels is one of the most promising methods to alleviate environmental pollution and energy crisis. In this work, Fe and F ion co-doped Ni₃S₂ nanoarrays grown on Ni foam substrate were prepared by typical hydrothermal and sulfuration processes for the first time. Density functional theory (DFT) calculation demonstrate that the adsorption energy of the material to water is greatly enhanced due to the doping of F and Fe, which is conducive to the formation of intermediate species and the improvement of electrochemical performance of the electrode. The adsorption energy of anions (F and S) and cations (Fe and Ni) to water in each material was also calculated, and the results showed that F ion showed the most optimal adsorption energy of water, which proved that the doping of F and Fe was beneficial to improve the electrochemical performance of the electrode. It is worth noting that the surface of Fe–F–Ni₃S₂ material will undergo reconstruction during the process of water oxidation reaction and urea oxidation reaction, and amorphous oxides or hydroxides in situ would be formed on the surface of electrode, which are the real active species.     

Generalized differential quadrature analysis of MHD mixed convective motion of Casson fluids past an isothermal irregular slender geometry via Cattaneo–Christov's approach

Classical Fourier's theory is well-known in continuum physics and thermal sciences. However, the primary drawback of this law is that it contradicts the principle of causality. To explore the thermal relaxation time characteristic, Cattaneo–Christov's theory is adopted thermally. In this regard, the features of magnetohydrodynamic (MHD) mixed convective flows of Casson fluids over an impermeable irregular sheet are revealed numerically. In addition, the resulting system of partial differential equations is altered via practical transformations into nonlinear ordinary differential equations. An advanced numerical algorithm is developed in this respect to get higher approximations for temperature and velocity fields, as well as their corresponding wall gradients. For validating our numerical code, the current outcomes are compared with the available literature results. Moreover, it is revealed that the velocity field is more prominent in the suction flow situation as compared with the injection flow case. It is also found that the Casson fluid is hastened in the case of lower yield stress. Larger values of thermal relaxation parameters create a lessening trend in the temperature distribution and its related boundary layer breadth.     

Ultrasonic-assisted wetting and soldering of AlN ceramic by using a nonactive solder (Sn9Zn) in air

AlN ceramic was successfully wetted and then joined with nonactive Sn9Zn eutectic solder assisted by ultrasonication in air. The effect of ultrasonic time on the formation of joint was studied. Results indicated that the defect-free joint can be obtained at an ultrasonic time of 5 s. Two regions, namely, AlN/Sn (s,_s) and AlN/Zn (s,_s), were found in the bonding interface. Zn and O accumulated in the AlN/Sn (s,_s) interface. An amorphous and nanocrystalline layer of ZnO formed in the hard-wet AlN surface. And Zn (s,_s) directly bonded with AlN. The low temperature and fast bonding of the AlN was attributed to the high pressure and temperature caused by cavitation effect. The shear strength of the joint increased from 10.6 MPa to 30.7 MPa when the ultrasonic treatment time increased from 5 s to 150 s. With the prolongation of ultrasonic time, more AlN ceramic particles entered the solder and acted as the reinforcing phase.     

疫情下电磁场理论课程的网络教学

本文主要总结了新冠疫情期间作者的电磁场理论课程在线教学经验。对比分析了录播和直播的优缺点后,选择录播教学方式。基于超星网络教学平台,展示了录播网络教学的具体措施,包括网上答疑和学习效果检查以及在线批改作业等。给出了网络教学可以为线下教学继续使用的方法和手段,为疫情结束后的正常教学提供了新的网络教学补充措施。     

Role of functionalized graphene quantum dots in hydrogen evolution reaction: A density functional theory study

Rapid advances in the field of catalysis require a microscopic understanding of the catalytic mechanisms. However, in recent times, experimental insights in this field have fallen short of expectations. Furthermore, experimental searches of novel catalytic materials are expensive and time-consuming, with no guarantees of success. As a result, density functional theory (DFT) can be quite advantageous in advancing this field because of the microscopic insights it provides and thus can guide experimental searches of novel catalysts. Several recent works have demonstrated that low-dimensional materials can be very efficient catalysts. Graphene quantum dots (GQDs) have gained much attention in past years due to their unique properties like low toxicity, chemical inertness, biocompatibility, crystallinity, etc. These properties of GQDs which are due to quantum confinement and edge effects facilitate their applications in various fields like sensing, photoelectronics, catalysis, and many more. Furthermore, the properties of GQDs can be enhanced by doping and functionalization. In order to understand the effects of functionalization by oxygen and boron based groups on the catalytic properties relevant to the hydrogen-evolution reaction (HER), we perform a systematic study of GQDs functionalized with the oxygen (O), borinic acid (BC₂O), and boronic acid (BCO₂). All calculations that included geometry optimization, electronic and adsorption mechanism, were carried out using the Gaussian16 package, employing the hybrid functional B3LYP, and the basis set 6-31G(d,p). With the variation in functionalization groups in GQDs, we observe significant changes in their electronic properties. The adsorption energy E_ads of hydrogen over O-GQD, BC₂O-GQD, and BCO₂-GQD is ?0.059 eV, ?0.031 eV and ?0.032 eV respectively. Accordingly, Gibbs free energy (ΔG) of hydrogen adsorption is extraordinarily near the ideal value (0 eV) for all the three types of functionalized GQDs. Thus, the present work suggests pathways for experimental realization of low-cost and multifunctional GQDs based catalysts for clean and renewable hydrogen energy production.     

Crystallization behavior and density functional theory study of solution combustion synthesized silicon doped calcium phosphates

The influence of heat-treatment temperatures (700 °C, 900°C, 1200 °C) on the phase, physical properties, crystallization rate, and in vitro properties of the solution combustion synthesized silicon-doped calcium phosphates (CaPs) were investigated. The thermodynamic aspects (enthalpy, entropy, and free energy) of the synthesis process and the crystallographic properties of the final samples were first predicted and then confirmed using density functional theory (DFT). Results demonstrated that the crystallization rate was controlled by the fuel(s) type (glycine, citric acid, and urea) and the amounts of Si⁴⁺ ions (0, 0.1, 0.4 mol). The highest calculated crystallization rate values of the un-doped, 0.1, and 0.4 mol Si-doped samples were 64%, 22%, 38%, respectively. The obtained results from the DFT simulation revealed that crystal growth in the direction of c-axis of hydroxyapatite (HAp) structure could change the stability of (001) surface of (HAp). Also, the computational data confirmed the adsorption of Si–OH groups on the (001) surface of HAp during the SCS process with an adsorption energy of 1.53 eV. AFM results in line with DFT simulation showed that the observed change in the surface roughness of Si-doped CaPs from 2 to 8 nm could be related to the doping of Si⁴⁺ ions onto the surface of CaPs. Besides, the theoretical and experimental investigation showed that crystal growth and doping of Si⁴⁺ ions could decrease the activation energy of oxygen reduction reaction (ORR). Furthermore, the results showed that the crystallized HAp structure could have great potential to efficiently reduce oxidative stress in human body.     

饱和块状混合回填土地基的一维固结分析

用块状渣土置换软弱地基和回填低洼谷地等是处置工程渣土的有效途径。为了分析饱和块状混合回填土地基的固结性状，运用混合物理论建立了其一维固结模型。首先，假定块状土固相和充填土固相之间满足等应变条件，获得了饱和块状混合回填土中各相应变与块状土孔隙变形和充填土孔隙变形的关系式。其次，在小应变条件下，根据自由能势函数方程建立了饱和块状混合回填土的一维线弹性本构方程，再结合达西定律和应力平衡方程获得了一维固结控制方程。再次，利用分离变量法得到一维固结解析解，通过退化本文模型与已有模型进行对比，验证了本文模型的正确性。最后，基于所得解析解，分析了充填土孔隙渗透系数、块状土孔隙渗透系数以及流体交换参数等因素对饱和块状混合回填土地基固结性状的影响。分析结果表明：充填土孔隙渗透系数对饱和块状混合回填土地基整体固结性状起主导作用；在固结初期，块状土超孔压会有一定程度的上升，且3个参数具有相似的作用机理。     

日本の寒地，北海道における2030年代の水稲生育への温暖化の影響予測とその対応(日语原文)

北海道では1980年代から2010年代まで，水稲圃場栽培期間である5–9月の気温は年代とともに上昇した。そこで，直近の2010年代（2010—2019年平均）と比べて， 2つの2030年代の予測気象から，既報の関係式より水稲生育を予測した。その結果，2030年代では2010年代に比べ，限界移植日（移植早限）が水稲栽培17地域の平均で8～9日早い。また，早限出穂期が1～5日早く，晩限出穂期が1～5日遅く，安全出穂期間が2～10日長い。出穂期は1～3日早い。出穂期から晩限出穂まで2～9日長いため，遅延型冷害の発生がやや少ない。生育期別気象は，出穂前24日以降30日間では生育が早いため平均気温が同じかやや低い。出穂前10日以降40日間および出穂期以降40日間では平均気温がやや高く，日射量はやや少ない。そのため，玄米収量は96～98％とやや低く，潜在収量性を示す気候登熟量示数は同じである。障害不稔発生に関係する穂ばらみ期冷害危険期の平均気温はわずかに低いかほぼ同じであるため，冷害発生の危険性は残る。一方，不稔発生をもたらす低温域の出現頻度には，地域間で差異がある。精米蛋白質含有率は同じであるが，アミロース含有率はやや低く，やや良食味である。米粒外観品質では被害粒歩合と着色粒歩合は一定の傾向がなく，未熟粒歩合はやや高い。精米白度は同じであるが，玄米白度はやや高い。以上の予測に対する技術的対応方向を示した。     

Stress-strain behavior of geotextile: A proposed new indirect calculation using the static puncture test (CBR test)

Some of the main applications of geosynthetics include use as a hydraulic barrier in sanitary landfills, as a reinforcement element and in pavement engineering. In most cases, these materials are subject to the overlapping effects of tensile strength and puncture. This paper presents a review of indirect methods for calculation of stress and strain averages by means of the California Bearing Ratio (CBR) puncture strength test. In addition, a new calculation method is proposed based on the Kirchhoff plate theory, which interprets the behavior of thin circular plates subjected to a uniform normal loading. This new method enables analysis of the stress-strain in each stretch of the geosynthetic. The methodology is applied to four woven geotextiles of different weights. The results of the new calculation method yielded a better stress-strain correlation with direct tensile strength tests, presenting the smallest relative errors compared to the other indirect calculations reviewed. With the aid of a disk and pins, vertical displacement values at different points in the geotextiles were measured and showed good agreement with analytical predictions. Therefore, the static puncture test combined with the new proposed calculation method is a good alternative for determining the stress-strain parameters of geotextile.     

Establishment of a color tolerance for yarn-dyed fabrics from different color-depth yarns

Yarn-dyed fabric is often woven from warp and weft yarns in the same color depth to ensure a uniform color appearance. The difference in color depth between warp and weft tends to result in the uneven color of the yarn-dyed fabric. This article aims to establish a color tolerance for yarn-dyed fabric that can be woven with a qualified color appearance but from the warp and weft yarns in different color depths. A total of 27 yarn-dyed fabric samples in three color series (red, yellow, and blue) were evaluated by using the yarn-dyed fabric from warp and weft yarns in the same color depth of 2% (on weight of fabric, owf) as the standard. Visual assessment and instrumental measurement of color were carried out to establish the color tolerance ellipse that was defined as CMC (Color Measurement Committee) color differences (2:1) of no more than 1.00. It was found that the color strengths (K/S) and color differences (ΔE_CMC(2:1)) of these fabric samples for each color series had linear relationships with the color depths of warp and weft yarns. The color tolerance ellipses indicated that, even though the warp and weft yarns had an apparent color difference, they could be woven in fabrics with relatively uniform color appearance and meet the requirements for yarn-dyed fabric. This work provided valuable insight into the production of qualified yarn-dyed fabrics from unqualified dyed yarns.