An approach of dynamic mesh adaptation for simulating 3‐dimensional unsteady moving‐immersed‐boundary flows

In this paper, we present an approach of dynamic mesh adaptation for simulating complex 3‐dimensional incompressible moving‐boundary flows by immersed boundary methods. Tetrahedral meshes are adapted by a hierarchical refining/coarsening algorithm. Regular refinement is accomplished by dividing 1 tetrahedron into 8 subcells, and irregular refinement is only for eliminating the hanging points. Merging the 8 subcells obtained by regular refinement, the mesh is coarsened. With hierarchical refining/coarsening, mesh adaptivity can be achieved by adjusting the mesh only 1 time for each adaptation period. The level difference between 2 neighboring cells never exceeds 1, and the geometrical quality of mesh does not degrade as the level of adaptive mesh increases. A predictor‐corrector scheme is introduced to eliminate the phase lag between adapted mesh and unsteady solution. The error caused by each solution transferring from the old mesh to the new adapted one is small because most of the nodes on the 2 meshes are coincident. An immersed boundary method named local domain‐free discretization is employed to solve the flow equations. Several numerical experiments have been conducted for 3‐dimensional incompressible moving‐boundary flows. By using the present approach, the number of mesh nodes is reduced greatly while the accuracy of solution can be preserved.     

Organocatalytic asymmetric chlorinative dearomatization of naphthols

An organocatalytic asymmetric chlorinative dearomatization of naphthols was realized for the first time, providing chiral naphthalenones with a Cl-containing all-substituted stereocenter in excellent yields and enantioselectivity (up to 97% yield and 96% ee). The reaction features mild reaction conditions, good tolerance of diverse functional groups and simple reaction operation.     

Polypyrrole Shell@3D‐Ni Metal Core Structured Electrodes for High‐Performance Supercapacitors

Three‐dimensional (3D) nanometal films serving as current collectors have attracted much interest recently owing to their promising application in high‐performance supercapacitors. In the process of the electrochemical reaction, the 3D structure can provide a short diffusion path for fast ion transport, and the highly conductive nanometal may serve as a backbone for facile electron transfer. In this work, a novel polypyrrole (PPy) shell@3D‐Ni‐core composite is developed to enhance the electrochemical performance of conventional PPy. With the introduction of a Ni metal core, the as‐prepared material exhibits a high specific capacitance (726 F g^?1 at a charge/discharge rate of 1 A g^?1), good rate capability (a decay of 33 % in C_sp with charge/discharge rates increasing from 1 to 20 A g^?1), and high cycle stability (only a small decrease of 4.2 % in C_sp after 1000 cycles at a scan rate of 100 mV s^?1). Furthermore, an aqueous symmetric supercapacitor device is fabricated by using the as‐prepared composite as electrodes; the device demonstrates a high energy density (≈21.2 Wh kg^?1) and superior long‐term cycle ability (only 4.4 % and 18.6 % loss in C_sp after 2000 and 5000 cycles, respectively).     

Pentapnictogen heterocyclic monoanions: Structure,stability, and aromaticity

Inorganic planar ring-shape molecules with 4n + 2 π electrons are always the focus of experimental synthesis and theoretical research due to their potential aromaticity and stability. In this work, the whole series of five-membered heterocycle monoanions X _nY_5-n⁻ (X, Y = group 15 elements; n = 1-4) were thoroughly investigated by means of density functional theory calculations. They all have large formation energies and HOMO-LUMO gap energies, suggesting the potential thermodynamic and kinetic stability. Their aromaticities are comparable to that of typical aromatic hydrocarbons. Their thermal stabilities were firmly established by the ab initio molecular dynamics simulations. As most of them are predicted for the first time, their various spectra were simulated for experimental characterization. Furthermore, we demonstrate that these five-membered cyclic anions can be employed as η⁵-ligand to construct novel all-inorganic metallocenes, which may serve as the building blocks of low-dimensional nanomaterials.     

Scattering of a Gaussian beam by an anisotropically coated circular cylinder

A solution to the problem of Gaussian beam scattering by an anisotropically coated circular cylinder is presented. The incident Gaussian beam source is expanded as an approximate expression in the simple form with a Tayor’s series. The transmitted field in the anisotropically coated region is expressed as a infinite summation of eigen plane waves with different polar angles. The unknown coefficients of the scattered fields are obtained with the aid of the boundary conditions. The infinite series can be truncated under the prerequisite of achieving the solution convergence. Only the case of transverse-electric polarization is discussed. The similar formulation of transverse-magnetic polarization can be obtained by adopting the similar method. Some numerical results are presented and discussed. The result is in agreement with that available as expected when the Gaussian beam degenerates to a plane wave incidence case.     

激光能量对反钙钛矿GaCMn_3薄膜结构与物性的影响

本文采用脉冲激光沉积方法在LaAlO3(001)单晶衬底上制备了反钙钛矿GaCMn3薄膜,通过控制制备过程中脉冲激光的能量,研究了不同激光能量条件对GaCMn3薄膜结构与物理性能的影响.分别利用X射线衍射仪、原子力显微镜、超导量子干涉仪和物理性能测试系统,对所制备的薄膜的晶体结构、表面形貌和磁性、电输运性质进行了研究.结果表明,制备的样品均为具有多个晶面取向的反钙钛矿薄膜,且薄膜结构和物性明显随制备激光能量的变化而变化.当激光能量为450mJ时,制备的薄膜多晶面取向性最弱,结晶性和表面形貌最优良.实验所得的薄膜均表现出顺磁-铁磁-反铁磁相转变,然而转变过程比块材较平缓,同时薄膜的电阻率并未表现出块材中的突变特征,我们推测该现象很可能是由衬底的应力及衬底的晶格膨胀对薄膜反常晶格变化的抑制作用造成的.     

Metalorganic chemical vapor deposition of silver thin films for future interconnects by direct liquid injection system

Deposition of Ag films by direct liquid injection-metal organic chemical vapor deposition (DLI-MOCVD) was chosen because this preparation method allows precise control of precursor flow and prevents early decomposition of the precursor as compared to the bubbler-delivery. Silver(I)-2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-triethylphosphine [Ag(fod)(PEt₃)] as the precursor for Ag CVD was studied, which is liquid at 30 °C. Ag films were grown on different substrates of SiO₂/Si and TiN/Si. Argon and nitrogen/hydrogen carrier gas was used in a cold wall reactor at a pressure of 50–500 Pa with deposition temperature ranging between 220 °C and 350 °C. Ag films deposited on a TiN/Si diffusion barrier layer have favorable properties over films deposited on SiO₂/Si substrate. At lower temperature (220 °C), film growth is essentially reaction-limited on SiO₂ substrate. Significant dependence of the surface morphology on the deposition conditions exists in our experiments. According to XPS analysis pure Ag films are deposited by DLI-MOCVD at 250 °C by using argon as carrier gas.     

A decision support system for interactive decision making - Part II: analysis and output interpretation

For pt.I see ibid., p.42-55 (2003). The development of a comprehensive decision support system, GMCR II, for the systematic study of real-world interactive decision problems is presented. The companion paper (Part I), discusses how GMCR II elicits, stores, and manages conflict models; here (Part II), the focus is on GMCR IIs analysis and output interpretation subsystems. Specifically, this paper describes the powerful and efficient analysis engine contained in GMCR II, its informative output presentation and interpretation facilities, and a number of follow-up analyses. Furthermore, an illustrative case study is used to demonstrate how GMCR II can be conveniently applied in practice.     

An Efficient Selective Oxidation of Alcohols with Potassium Permanganate Adsorbed on Aluminum Silicate under Solvent-free Conditions and Shaking

A new procedure for the selective oxidation of alcohols to the corresponding aldehydes and ketones with potassium permanganate supported on aluminum silicate at room temperature under solvent-free conditions and shaking is reported.     

采用RF2607的WLAN自动增益控制设计

介绍了宽动态变化范围的新型可变增益放大器RF2607的特性、功能,给出了利用RF2607设计无线局域网(WLAN)通信中自动增益控制部分的实用电路.