Heteroborospherene nanoclusters as high-performance nonlinear optical materials

Today, the design of new compounds with giant nonlinear optical responses is attracted to many researchers. Inspired by an interesting finding of a new class of heteroborospherenes which were formed by doping four carbon atoms in the B364- nanocluster (C4B32), we suggest the alkali metal-doped C4B32 (M@C4B32, M=Li, Na, and K) nanoclusters as high-performance nonlinear optical materials. Our results show that the alkali metal atoms have a considerable effect on the structural and electronic properties of the C4B32 nanocluster. We found that the doping alkali metal can remarkably decrease the HOMO-LUMO gap and significantly increases the first hyperpolarizability of the C4B32 nanocluster. Also, our results reveal that the first hyperpolarizability of the M@C4B32 nanoclusters can be progressively enhanced by increasing the atomic number of alkali metals. The effect of external electric fields on the nonlinear optical responses of the M@C4B32 has been systematically explored. We found that the first hyperpolarizability of the M@C4B32 compounds can be gradually increased by increasing the imposed external electric field from zero to the critical external electric field along the charge transfer direction (M→C4B32). Accordingly, this work presents an efficient strategy to improve the nonlinear optical responses of the heteroborospherenes.     

Finite deformation swelling of a temperature-sensitive hydrogel cylinder under combined extension-torsion

The swelling behavior of a temperature-sensitive poly-N-isopropylacrylamide(PNIPAM) hydrogel circular cylinder is studied subjected to combined extension-torsion and varied temperature. In this regard, a semi-analytical solution is proposed for general combined loading. A finite element(FE) analysis is conducted, subjecting a hydrogel cylinder to the combined extension-torsion and the varied temperature to evaluate the validity and accuracy of the solution. A user-defined UHYPER subroutine is developed and verified under free and constrained swelling conditions. The FE results illustrate excellent agreement with the semi-analytical solution. Due to the complexity of the problem, some compositions and applied loading factors are analyzed. It is revealed that for larger cross-linked density and larger ending temperature, the cylinder yields higher stresses and smaller radial swelling deformation. Besides, the radial and hoop stresses increase by applying larger twist and axial stretch. The hoop stresses intersect at approximately R/Rout = 0.58, where the hoop stress vanishes. Besides, the axial force has direct and inverse relationships with the axial stretch and the twist, respectively. However, the resultant torsional moment behavior is complex, and the position of the maximum point varies significantly by altering the axial stretch and the twist.     

Generating Artificial Reverberation via Genetic Algorithms for Real-Time Applications

We introduce a Virtual Studio Technology (VST) 2 audio effect plugin that performs convolution reverb using synthetic Room Impulse Responses (RIRs) generated via a Genetic Algorithm (GA). The parameters of the plugin include some of those defined under the ISO 3382-1 standard (e.g., reverberation time, early decay time, and clarity), which are used to determine the fitness values of potential RIRs so that the user has some control over the shape of the resulting RIRs. In the GA, these RIRs are initially generated via a custom Gaussian noise method, and then evolve via truncation selection, random weighted average crossover, and mutation via Gaussian multiplication in order to produce RIRs that resemble real-world, recorded ones. Binaural Room Impulse Responses (BRIRs) can also be generated by assigning two different RIRs to the left and right stereo channels. With the proposed audio effect, new RIRs that represent virtual rooms, some of which may even be impossible to replicate in the physical world, can be generated and stored. Objective evaluation of the GA shows that contradictory combinations of parameter values will produce RIRs with low fitness. Additionally, through subjective evaluation, it was determined that RIRs generated by the GA were still perceptually distinguishable from similar real-world RIRs, but the perceptual differences were reduced when longer execution times were used for generating the RIRs or the unprocessed audio signals were comprised of only speech.     

Size-dependent thermoelastic initially stressed micro-beam due to a varying temperature in the light of the modified couple stress theory

The bending of the Euler-Bernoulli micro-beam has been extensively modeled based on the modified couple stress (MCS) theory. Although many models have been incorporated into the literature, there is still room for introducing an improved model in this context. In this work, we investigate the thermoelastic vibration of a micro-beam exposed to a varying temperature due to the application of the initial stress employing the MCS theory and generalized thermoelasticity. The MCS theory is used to investigate the material length scale effects. Using the Laplace transform, the temperature, deflection, displacement, flexure moment, and stress field variables of the micro-beam are derived. The effects of the temperature pulse and couple stress on the field distributions of the micro-beam are obtained numerically and graphically introduced. The numerical results indicate that the temperature pulse and couple stress have a significant effect on all field variables.     

Preparation of two-dimensional molybdenum disulfide for NO2 detection at room temperature

In this work, the two-dimensional MoS₂ film was prepared by sulfuring the molybdenum atomic layer on SiO₂/Si substrate. The reaction temperature, heating rate, holding time and carrier gas flow rate were investigated comprehensively. The quality of MoS₂ film was characterized by optical microscopy, atomic force microscopy, Raman and photoluminescence spectroscopy. The characterization results showed that the optimum synthesis parameters were heating rate of 25 °C/min, reaction temperature of 750 °C, holding time of 30 min and carrier gas velocity of 100 sccm. The MoS₂ gas sensor was fabricated and its gas sensing performance was tested. The test results indicated that the sensor had a good response to both reducing gas (NH₃) and oxidizing gas (NO₂) at room temperature. The sensitivity to 100 ppm of NO₂ was 31.3%, and the response/recovery times were 4 s and 5 s, respectively. In addition, the limit of detection could be as low as 1 ppm. This work helps us to develop low power and integrable room temperature NO₂ sensors.     

纵横载荷作用下功能梯度梁的弯曲和过屈曲

基于一阶非线性梁理论和物理中面概念,导出了纵横向载荷作用下功能梯度材料(FGM)梁非线性弯曲和过屈曲问题的控制方程,并获得了该问题的精确解;据此解研究了梯度材料性质、外载荷、横向剪切变形以及边界条件等因素对功能梯度材料梁非线性力学行为的影响,分析中假设功能梯度材料性质只沿梁厚度方向,并按成分含量的幂指数函数形式变化。结果表明:纵横载荷共同作用下,功能梯度梁的弯曲构形将有无限多个;随着梯度指数的增大,梁的变形减小,临界载荷升高;随着长高比的增大,横向剪切变形的影响减小。     

Dynamic analysis and regulation of the flexible pipe conveying fluid with a hard-magnetic soft segment

Applied Mathematics and Mechanics - The recently developed hard-magnetic soft (HMS) materials can play a significant role in the actuation and control of medical devices, soft robots, flexible...     

Ni单原子催化剂表面CO2电还原动力学的电化学谱学解析

针对Ni单原子催化剂表面的CO₂电还原反应(CO₂RR), 提出了以Ni为活性位点的“单中心”机理以及同时借助Ni位点还原和碳氮锚定位水解的“双功能”机理. 依据稳态极化的实验结果, 开展了CO₂RR的动力学解析与模型参数的敏感性分析; 借助暂态模型方程, 分别获取可表达CO₂RR线性与非线性频响特征的电化学阻抗谱(EIS)与总谐波失真(THD)谱. 研究结果表明, CO₂的溶解分压对CO₂RR活性影响最显著. 若CO₂RR遵循“单中心”机理, Ni位点COOH_ads的形成为速率控制步骤; 但若为“双功能”机理, 碳氮锚定位的水解与Ni位点的CO_2,ads还原同为速率控制步骤. EIS理论上可用于区分CO₂RR的“单中心”机理与“双功能”机理; 与之相比, THD谱在CO₂RR的机理识别中并无优势.     

Efficient removal of As(V) from simulated arsenic-contaminated wastewater via a novel metal–organic framework material: Synthesis,structure, and response surface methodology

A novel metal–organic framework material {[N(C₂H₅)₃][Zn₂(ptmda)₂(μ₂-H₂O)]·(H₂O)_0.5}_n { GUT-3 ; H₂ptmda is 4,4′-([p-tolylazanediyl]bis [methylene])dibenzoic acid} was successfully synthesized using the hydrothermal method and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy. GUT-3 has a two-dimensional network based on dinuclear [Zn₂(ptmda)₂(μ₂-H₂O)]⁻ building units which formed an eightfold interpenetration network in GUT-3 molecules. Hirshfeld surface analysis revealed that H–H, C–H, and O–H bonds accounted for the majority of intermolecular interactions. Moreover, the interactions between GUT-3 and As(V) – the form of As(V) is AsO₄³⁻ – were analyzed in aqueous solutions in a batch system to study the effect of pH, concentration, adsorbent dose, adsorption time, adsorption temperature, and shaking speed. The kinetic and isotherm data of arsenic adsorption on GUT-3 were accurately modeled by pseudo-second-order, Langmuir (q_m = 33.91 mg/g), and Freundlich models. The Box–Behnken response surface method was used to optimize the adsorption conditions of As(V) from the simulated arsenic-contaminated wastewater. The effect of various experimental parameters and optimal experimental conditions was ascertained using the quadratic model.