Nonlinear elastic constitutive relations of residually stressed composites with stiff curved fibres

Applied Mathematics and Mechanics - Mechanical models of residually stressed fibre-reinforced solids, which do not resist bending, have been developed in the literature. However, in some residually...     

Valence Quark Ratio in the Proton

Beginning with precise data on the ratio of structure functions in deep inelastic scattering（DIS） from ³ He and ³ H, collected on the domain 0.19 ≤ xB≤ 0.83, where xBis the Bjorken scaling variable, we employ a robust method for extrapolating such data to arrive at a model-independent result for the xB= 1 value of the ratio of neutron and proton structure functions. Combining this with information obtained in analyses of DIS from nuclei, corrected for target-structure depen...     

The emerging applications of pillararene architectures in supramolecular catalysis

Over the last decade, numerous research efforts have been devoted to pillar[n]arenes since their debut.The popularity of pillararenes is a reflection of current research trend in supramolecular and macrocyclic chemistry in general. Among the vast applications(such as chemosensors, drug delivery, transmembrance channels, and separation) of pillararenes, their utilization in catalysis is a relatively less explored area.However, soaring attention has been paid by researchers in recent years and thi...     

Recent advances on iron-catalyzed coupling reactions involving organolithium reagents

Several iron-catalyzed cross- and homo-coupling reactions involving organolithiums were developed to form diverse carbon-carbon bonds. The usefulness of this protocol was demonstrated by producing gram-scale products in good yields.     

Highly transparent ceramics for the spectral range from 1.0 to 60.0μm based on solid solutions of the system AgBr-AgI-TlI-TlBr

The article is devoted to the technology for obtaining optical ceramics of Ag Br-Tl I and Ag Br-Tl Br_0.46I_0.54 systems and manufacturing samples with different compositions.The new heterophase crystal ceramics are transparent without absorption windows in the spectral range from 1.0 to 60.0μm.In the ceramics’transparency spectra based on the Ag Br-Tl I and Ag Br-Tl Br_0.46I_0.54 systems fusibility diagrams,with an increase in the thallium halides mass fraction,as well as the replacement of the bromine ion with iodine,the maximum transparency shifts to a long infrared region.     

BiVO4/TiO2 heterojunction with rich oxygen vacancies for enhanced electrocatalytic nitrogen reduction reaction

The large-scale production of ammonia mainly depends on the Haber–Bosch process, which will lead to the problems of high energy consumption and carbon dioxide emission. Electrochemical nitrogen fixation is considered to be an environmental friendly and sustainable process, but its efficiency largely depends on the activity and stability of the catalyst. Therefore, it is imperative to develop highefficient electrocatalysts in the field of nitrogen reduction reaction (NRR). In this paper, we developed a BiVO₄/TiO₂ nanotube (BiVO₄/TNT) heterojunction composite with rich oxygen vacancies as an electrocatalytic NRR catalyst. The heterojunction interface and oxygen vacancy of BiVO₄/TNT can be the active site of N₂ dynamic activation and proton transition. The synergistic effect of TiO₂ and BiVO₄ shortens the proton transport path and reduces the over potential of chemical reaction. BiVO₄/TNT has high ammonia yield of 8.54 μg·h⁻¹·cm⁻² and high Faraday efficiency of 7.70% in −0.8 V vs. RHE in 0.1 M Na₂SO₄ solution.     

How do molecular interactions affect fluorescence behavior of AIEgens in solution and aggregate states?

Molecular interactions are crucial in diverse fields of protein folding,material science,nanotechnology,and life origins.Although mounting experimental research controls luminescent behavior by adjusting molecular interactions in light-emitting materials,it remains elusive to correlate microscopic molecular interactions with macroscopic luminescent behavior directly.Here,we synthesized three red luminogens with subtle structural variation and investigated the influence of molecular interactions on their luminescent behavior in solution and aggregate states.Our results indicate that strongπ-πand D-A interactions in both dilute solution(between luminogen and solvent molecules)and aggregate(between luminogens)states cause the redshift in emission,while weak interactions(e.g.,Van der Waals,C–H…π,and C–H…F interactions)enhance the quantum yield.This work provides a thoughtful investigation into the complicated influence of various molecular interactions on luminescent behavior.     

基于有限体积虚拟区域方法的两相流动直接模拟

为提高计算效率，提出有限体积法离散下的虚拟区域颗粒两相流动直接模拟方法.在控制方程中加入相应的虚拟区域源项，保证了颗粒内部的刚体运动特性.该源项中含有颗粒信息部分及流体信息部分.在每次迭代后，对源项中的流体信息部分进行更新，从而更好地保证颗粒内速度的刚体分布.计算静止颗粒圆柱绕流及单个颗粒的沉降过程，验证了算法的准确性.     

Ag_(60)纳米颗粒[{Cl@Ag_(12)}@Ag_(48)(dppm)_(12)]的结构(其中dppm=双(二苯基膦基)甲烷)（英文）

本文合成一种新的双膦连接Ag_(60)纳米团簇[{Cl@Ag_(12)}@Ag_(48)(dppm)_(12)],并通过X射线晶体学进行表征.二十面体的银处于核心位置,里面是中心氯化物组成,外面有48个银原子/离子的包裹,顶端是12个双(二苯基膦基)甲烷(dppm)配体.同时利用密度泛函理论对阳离子[{Cl@Ag_(12)}@Ag_(48)(dppm)_(12)]~+进行计算,以确定该结构是否对应于核心数n=58的超原子.DFT计算的优化结构与X射线一致,但是HOMO-LUMO的能差并不能保证共超级稳定性.     

热辐射对热团簇衰变率和丰度的影响

本文量化了辐射冷却对单分子衰变速率、热簇以及非特定激发能量的分子的影响.检测出两种不同的区域,可以通过发射光子的能量大小进行定义,并根据光子发射速率常数和颗粒的热性质确定它们之间的边界.此外,通过丰度光谱计算了相当于小光子能量的连续冷却情况.两种不同区域分别是连续性冷却和单分子衰变的单光子猝灭.辐射效应通过重新定义每个单独的团簇用于进行蒸发的时间进行参数化,可用有效辐射时间常数来表示.