Direct Intermediate Regulation Enabled by Sulfur Containers in Working Lithium–Sulfur Batteries

Polysulfide intermediates (PSs), the liquid-phase species of active materials in lithium–sulfur (Li-S) batteries, connect the electrochemical reactions between insulative solid sulfur and lithium sulfide and are key to full exertion of the high-energy-density Li-S system. Herein, the concept of sulfur container additives is proposed for the direct modification on the PSs species. By reversible storage and release of the sulfur species, the container molecule converts small PSs into large organosulfur species. The prototype di(tri)sulfide-polyethylene glycol sulfur container is highly efficient in the reversible PS transformation to multiply affect electrochemical behaviors of sulfur cathodes in terms of liquid-species clustering, reaction kinetics, and solid deposition. The stability and capacity of Li-S cells was thereby enhanced. The sulfur container is a strategy to directly modify PSs, enlightening the precise regulation on Li-S batteries and multi-phase electrochemical systems.     

Active transient elasto-acoustic response damping of a thick-walled liquid-coupled piezolaminated cylindrical vessel

The linear 3D piezoelasticity theory in conjunction with the versatile transfer matrix approach and the wave equation for the internal acoustic domain are employed for active non-stationary vibroacoustic response control of an arbitrarily thick, tri-laminate, fluid-filled, simply supported, piezocomposite cylindrical tank, excited by arbitrary (non-axisymmetric) time-dependent on-surface mechanical loads. The smart structure is composed of a supporting core layer of functionally graded orthotropic material perfectly bonded to inner and outer spatially distributed radially polarized functionally graded piezoceramic sensor and uniform force actuator (FGPM) layers. Active vibration damping is implemented by transferring the accumulated voltage on the sensor layer to the piezoelectric actuator layer in context of proportional and derivative control laws. Durbin's numerical inverse Laplace transform scheme is utilized to calculate the time response histories of the relevant interface displacement/stress components, center-point acoustic pressure, and actuator voltage, for selected loading configurations (i.e., concentrated step, impulse, and moving external loads). Numerical simulations demonstrate the effectiveness of the adopted distributed sensing/actuation configuration together with the active damping control strategy in suppressing the vibroacoustic response of a three-layered (Ba₂NaNb₅O₁₅/Al/PZT4) water-filled piezoelastic cylindrical tank. Limiting cases are considered and the validity of results is established by comparison with the available data as well as with the aid of a commercial finite element package.     

Open‐cage fullerenes as tailor‐made container for a single water molecule

Water is the most important liquid on earth. Clusters of water have been investigated extensively in an effort to understand the bulk property of water. But the behavior of single water molecule without H‐bond has been rarely studied. Open‐cage [60]fullerenes have been shown to trap a single water molecule selectively over molecules with comparable size and act as the smallest “water bottle”. Copyright © 2013 John Wiley & Sons, Ltd.     

基于碳纳米管分子封装的一维电子波函数扫描

利用第一性原理,设计并研究了一类基于单臂碳纳米管的分子封装的分子体系．计算表明,半环葫芦脲类化合物可有效封装碳纳米管,引入微弱的分子间相互作用,对碳纳米管的电子态能级结构分布 仅带来微弱影响．半环葫芦脲分子与碳纳米管在管径方向的一维电子态波函数充分耦合,进而有效改变了一些前沿分子轨道的波函数在管径两头的分布以及相应的电子布居浓度．基于电子输运的模拟,发现半环葫芦脲分子在碳纳米管一维方向滑动时的某个电压下的电导变化可准确反映电子态波函数在相应分子导电通道上的一维分布信息．     

Integrated scheduling of handling equipment at automated container terminals

To improve the productivities of an automated container terminal, it is important to schedule different types of handling equipment in an integrated way. A mixed-integer programming model, which considers various constraints related to the integrated operations between different types of handling equipment, is formulated. A heuristic algorithm, called multi-layer genetic algorithm (MLGA) is developed with a view to overcome the computation difficulty for solving the mathematical model. A numerical experimentation is carried out in order to evaluate the performance of the algorithm.     

Conformationally Selective Synthesis of Mononitrocalix[4]arene in Cone or Partial Cone

Nitro‐substituted calixarenes in a cone and a partial cone conformation were prepared selectively using distinct synthetic routes. The selective nitration of tris‐ or penta‐substituted phenols of calix[4]arene or calix[6]arene provided mononitrocalix[n ]arenes (n  =  4, 6). Subsequent addition of ethylene glycol (EG) moieties to mononitrocalix[4]arene provided tetraEGylcalix[4]arene in locked partial cone conformation. By an alternative route – initial addition of EG moieties to the non‐derivatized calix[4]arene followed by the uncontrolled nitration – provided mononitro‐ and dinitro‐tetraEGylcalix[4]arenes locked in the cone conformation. These nitrocalix[4]arenes with locked cone or partial cone conformation are useful building blocks for further assembly of supramolecular systems, especially in the area of material sciences.     

A neighborhood search heuristic for pre-marshalling export containers

In a yard where export containers are piled up, only those on the top are directly accessible to the stacking equipment. As a result, extra rehandles may occur when lifting them up for loading onto ships. One way to improve operational efficiency is to pre-marshal the containers in such an order that it fits the loading sequence. This paper proposes a model to develop a movement plan to improve the layout of containers in a bay. The proposed heuristic consists of a neighborhood search process, an integer programming model, and three minor subroutines. Each of the components plays a different role in the heuristic. Several sets of testing results demonstrate the performance of the heuristic as well as the contributions of the components.     

旋转液体中固体颗粒运动的进一步讨论

通过分析旋转液体中的压强分布,说明了浸在液体中的固体颗粒向轴心运动的原因,以及该规律的实际应用.     

气体储罐泄漏扩散模型研究

安全评价中如何预测和模拟气体储罐完全破裂后介质在瞬间泄漏的动态扩散过程目前还没有合适的模型,通常只能借用环保领域中的高斯模型和Su tton模型,但环保领域的模型为稳态扩散模型,不含时间变量,并不适合动态扩散过程.目前开发的用有限元方法求解的计算机模型只能针对具体的装置进行模拟.本文根据F ick定律建立了气体扩散的动态模型,再限定气体储罐形状为最常见的圆柱形,确定了模型的初始条件和边界条件.通过坐标变换和两个积分变换:Fourier变换和适用于圆柱函数(Bessel函数)的H ankel变换,求出了此条件下扩散方程的解析解.     

Mathematical study of the small oscillations of an incompressible and inviscid liquid under zero gravity in a container of revolution with elastic bottom and anchored edge

In this paper, the Authors study the small oscillations of an inviscid liquid under zero gravity in a container of revolution with elastic bottom, considered as a membrane or a plate, and anchored edge. They obtain the equations of the displacements of the free surface and the bottom and they reduce these equations to a functional equation in a suitable Hilbert space. By using the methods of Functional Analysis the Authors prove the existence of the small oscillations. Research partially supported by GNFM, MURST (Italy).