Different defect morphologies in polyethylene crystal induced by surface physicochemical properties

The physicochemical properties of surfaces have a great effect on the micro-morphologies of the crystal structures which are in contact with them.Understanding the interaction mechanism between the internal driving forces of the crystal and external inducing forces of the surfaces is the prerequisite of controlling and obtaining the desirable morphologies.In this work,the dynamic density functional theory was applied to construct the free energy functional expression of polyethylene(PE) lattice,and the micro-dynamic evolution processes of PE lattice morphology near the surfaces with different properties were observed to reveal the interaction mechanism at atomic scale.The results showed that the physical and chemical properties of the external surfaces synergistically affect the morphologies in both the defect shapes and the distribution of the defect regions.In the absence of the contact surfaces,driven by the oriented interactions among different CH2 groups,PE lattices gradually grow and form a defect-free structure.Conversely,the presence of contact surfaces leads to lattice defects in the interfacial regions,and PE lattice shows different self-healing abilities around different surfaces.     

Demystifying terms for understanding bioelectrochemical systems towards sustainable wastewater treatment

Bioelectrochemical systems (BESs) have been intensively studied in the past decade, but precise understanding of BESs performance is hindered by unclear definition of several key parameters. Herein, we analyze and discuss three sets of terms about conversion efficiency, energy performance, and pilot scale. It is suggested that ‘Coulombic recovery’ can avoid the misleading results because of different organic removals, compared with ‘Coulombic efficiency.’ Power density is not a suitable term to describe energy performance of BESs, and energy production/consumption should be reported in the energy unit such as kWh. Pilot-scale BESs should meet several criteria, including hydraulic capacity, use of actual wastewater, non-laboratory condition, and long-term operation. Proper use of those terms is strongly encouraged and will be critically important to BESs research and development.     

Real‐Time Atomic‐Scale Visualization of Reversible Copper Surface Activation during the CO Oxidation Reaction

By using in situ aberration‐corrected environmental transmission electron microscopy, for the first time at atomic level, the dynamic evolution of the Cu surface is captured during CO oxidation. Under reaction conditions, the Cu surface is activated, typically involving 2–3 atomic layers with the formation of a reversible metastable phase that only exists during catalytic reactions. The distinctive role of CO and O₂ in the surface activation is revealed, which features CO exposure to lead to surface roughening and consequently formation of low‐coordinated Cu atoms, while O₂ exposure induces a quasi‐crystalline CuOx phase. Supported by DFT calculations, it is shown that crystalline CuOx reversibly transforms into the amorphous phase, acting as an active species to facilitate the interaction of gas reactants and catalyzing CO oxidation.     

Study on wave dispersion characteristics of piezoelectric sandwich nanoplates considering surface effects

In this study, the wave propagation properties of piezoelectric sandwich nanoplates deposited on an orthotropic viscoelastic foundation are analyzed by considering the surface effects (SEs). The nanoplates are composed of a composite layer reinforced by graphene and two piezoelectric surface layers. Utilizing the modified Halpin-Tsai model, the material parameters of composite layers are obtained. The displacement field is determined by the sinusoidal shear deformation theory (SSDT). The Euler-Lagrange equation is derived by employing Hamilton’s principle and the constitutive equations of piezoelectric layers considering the SEs. Subsequently, the nonlocal strain gradient theory (NSGT) is used to obtain the equations of motion. Next, the effects of scale parameters, graphene distribution, orthotropic viscoelastic foundation, and SEs on the propagation behavior are numerically examined. The results reveal that the wave frequency is a periodic function of the orthotropic angle. Furthermore, the wave frequency increases with the increase in the SEs.

     

硫化丁苯橡胶纳观界面耐磨机理及参数影响分析

硫化橡胶因其良好的力学和物理化学性能而被广泛作为摩擦副的基础材料. 本文提出了一种硫化交联算法, 实现了C—C键的硫化互交联和自交联, 构建了硫化丁苯橡胶的分子动力学磨损模型, 从微观摩擦学的角度阐明了硫化交联结构对改善丁苯橡胶磨损性能的机理, 研究了不同界面参数对硫化橡胶微观磨损性能的影响. 结果发现 硫化使丁苯橡胶分子链的界面黏附能力和活动能力更弱, 拉伸和解缠能力更低, 磨损过程中界面累积能量更低, 更不容易脱离橡胶基体, 因此可以表现出更好的摩擦学性能, 更强的抗磨损性能; 随着速度的增大, 硫化橡胶的磨损率降低, 与宏观实验结果一致, 原因是硫化橡胶的原子分布函数和相互作用能随着速度增大而降低, 说明橡胶分子链的黏附能力和活动能力随着速度增加趋弱, 温升更低, 导致较低的磨损率; 压入深度对磨损率的影响规律则呈现相反的结果和趋势.     

Prediction of resolvent mode shapes in supersonic turbulent boundary layers

This work applies resolvent analysis to compressible zero-pressure-gradient turbulent boundary layers with freestream Mach numbers between 2 and 4, focusing exclusively on large scale motions in the outer region of the boundary layer. We investigate the effects of Mach number on predicted flow structures, and in particular, look at how such effects may be attributed to changes in mean properties. By leveraging the similarity between the compressible and incompressible resolvent operators, we show that the shape of the streamwise velocity and temperature components of resolvent response modes in the compressible regime can be approximated by applying ideas from wavepacket pseudospectral theory to a simple scalar operator. This gives a means of predicting the shape of resolvent mode components for compressible flows without requiring the singular value decompositions of discretized operators. At a Mach number of 2, we find that accurate results are obtained from this approximation when using the compressible mean velocity profile. At Mach numbers of 3 and 4, the quantitative accuracy of these predictions is improved by also considering a local effective Reynolds number based on the local mean density and viscosity.     

大规模合成具有氧空位的多孔Bi2O3用于有效降解亚甲基蓝

光催化降解有机污染物由于其具有低能耗和绿色环保的特点,已经成为研究的热点. 氧化铋纳米晶体的带隙在2.0∽2.8 eV之间,利用它催化可见光降解有机污染物具有较高的活性,从而引起了越来越多的关注. 尽管近年来已经开发了几种制备Bi₂O₃基半导体材料的方法,但是仍然难以用简单的方法大规模地制备高活性的Bi₂O₃催化剂. 因此,开发简单可行的大规模制备Bi₂O₃纳米晶体的方法对于工业废水处理的潜在应用具有重要意义. 本文通过蚀刻商用BiSn粉末,然后进行热处理,成功地大规模制备了多孔Bi₂O₃. 获得的多孔Bi₂O₃在亚甲基蓝(MB)的光催化降解中表现出优异的活性和稳定性. 对该机理的进一步研究表明,多孔Bi₂O₃合适的能带结构允许生成活性氧物种,例如O₂^-·和·OH,可有效降解MB.     

柱状装药预制破片缩比战斗部爆炸冲击波和破片的作用时序

针对柱状装药的周向预制破片战斗部,结合无量纲分析方法和爆炸驱动理论,确定了影响破片和冲击波相遇位置的关键参数,给出了由缩比战斗部推广预测原型战斗部爆炸产生的破片冲击波作用时序的方法。采用ANSYS/LS-DYNA有限元软件进行数值模拟,对比验证了理论分析和数值试验结果,分析了战斗部缩比比例对冲击波和破片作用时序的影响。结果表明:缩比模型与原型战斗部爆炸产生的破片和冲击波的相遇位置之比和相遇时间之比主要取决于两模型的质量比,在不考虑破片速度衰减时,两模型中载荷相遇位置之比和相遇时间之比等于其质量比的0.33次方。受破片速度衰减影响,该方法仅适用于质量缩比不小于0.2的模型。     

Large scale synthesis of red emissive carbon dots powder by solid state reaction for fingerprint identification

Red emissive carbon dots(CDs) powder was synthesized on a large scale from phloroglucinol and boric acid by a novel solid state reaction with yield up to 75%. This method is safe and convenient, for it needs neither high pressure reactors nor complicated post-treatment procedures. The as-prepared carbon dots powder exhibited strong red fluorescence with excitation-independent behavior. XPS measurement and PL spectra suggest that such red fluorescence arise from boron-doped structures in CDs, which increases along with the boron concentration on CDs surface but decreases when the concentration quenching effect takes place. To overcome the aggregation induced fluorescence quenching of the solid CDs powder,the conventional methods are dispersing CDs into a large amount of inert substrates. But our present work provides a new strategy to realize strong red fluorescence of CDs in solid state. As a result, such carbon dots powder works well for latent fingerprint identification on various material surfaces.     

丝网印刷柔性电子器件

有机电子器件的主要优势之一是溶液可处理性,这使得可以通过多种印刷方法制备有机电子器件。丝网印刷作为一种十分成熟的印刷方法,被广泛应用于微电子器件的制备。本文主要从丝网印刷的组成、影响丝网印刷精密度的因素以及丝网印刷在场效应晶体管、太阳能电池、有机发光二极管等柔性电子器件制备中的应用分别作以介绍,并对目前丝网印刷在印刷柔性电子器件中存在的困难和挑战作以总结。