Organophosphine/phosphite‐stabilized silver(I) complexes bearing N‐acetylbenzamide ligand: synthesis,characterization and potential application in metal organic chemical vapor deposition

New N‐silver(I) acetylbenzamide complexes of type L_n?AgNC₉H₈O₂ (L = PPh₃; n = 1, 2a; n = 2, 2b; n = 3, 2c; L = P(OEt)₃; n = 1, 2d; n = 2, 2e; n = 3, 2f) were prepared. These complexes were obtained in high yields and characterized by elemental analysis, ¹H NMR, ¹³C{H} NMR, ³¹P{H} NMR and IR spectroscopy, respectively. The molecular structure of 2b has been determined by X‐ray single‐crystal analysis in which the silver atom is in a distorted tetrahedral geometry and crystallizes as cis–trans. New N‐silver(I) acetylbenzamide complexes have a four‐membered ring, which could influence their chemical and physical properties and modulate volatility. Metal organic chemical vapor deposition experiments were carried out successfully at 400°C and 450°C using 2e as precursor for the deposition of silver films, respectively. The high‐purity silver film obtained at 400°C is dense and homogeneous. Copyright © 2012 John Wiley & Sons, Ltd.     

Theoretical study of the thermal rearrangement of chloromethylsilanes, and its mechanism

The thermal rearrangement reactions of chloromethylsilane, (chloromethyl)dimethylsilane, and (chloromethyl)vinylsilane have been studied by use of the density functional theory method at the B3LYP/6-311G(d, p) level. The structures of the reactants, transition states, and the products were determined and fully optimized. The geometries of the different stationary points and the harmonic vibrational frequencies were calculated at the same level. The results showed that thermal rearrangement of the chloromethylsilanes occurred via one pathway. The chlorine atom migrated from the carbon atom to the silicon atom, and the hydrogen atom migrated simultaneously from the silicon atom to the carbon atom through a double-three-membered-ring transition state, forming methylchlorosilane, trimethylchlorosilane, and vinylmethylchlorosilane. The energy barriers of the three rearrangements calculated at the B3LYP/6-311G(d, p) level were 217.4, 201.6, and 208.7 kJ mol^?1, respectively. The effects of alkyl substituents on silicon atom are discussed. Changes of thermodynamic functions, equilibrium constant, and reaction rate constant were calculated in accordance with Eyring transition-state theory over the temperature range 400–1,500 K.     

Homogenization of layered elastoplastic composites: Theoretical results

Exact closed-form solutions are derived that completely characterize the effective behavior of a composite material made of elastic-perfectly plastic parallel plane layers perfectly bonded together. The derivation is framed within a rigorous theory of homogenization for elastoplastic composites, and based on the fundamental fact that the in-plane part of the strain tensor and the out-of-plane part of the stress tensor are uniform throughout the composite provided no free-edge effects occur. The obtained expressions are coordinate-free and valid in the general anisotropic case. As an example, a layered composite material with isotropic constituents is examined in detail.     

Discontinuous crack-bridging model for fracture toughness analysis of nacre

Studying the structure–property relation of biological materials can not only provide insight into the physical mechanisms underlying their superior properties and functions but also benefit the design and fabrication of advanced biomimetic materials. In this paper, we present a microstructure-based fracture mechanics model to investigate the toughening effect due to the crack-bridging mechanism of platelets. Our theoretical analysis demonstrates the crucial contribution of this mechanism to the high toughness of nacre. It is found that the fracture toughness of nacre exhibits distinct dependence on the sizes of platelets, and the optimized ranges for the thickness and length of platelets required to achieve higher fracture toughness are given. In addition, the effects of such factors as the mechanical properties of the organic phase (or interfaces), the effective elastic modulus of nacre, and the stacking pattern of platelets are also examined. Finally, some guidelines for the biomimetic design of novel materials are proposed based on our theoretical analysis.     

油水饱和球管孔隙模型弛豫的理论计算与计算机模拟

根据Brownstein-Tarr理论,采用特征函数展开法,通过求解基于扩散效应的Bloch控制方程,给出了油水饱和球管孔隙模型弛豫的理论计算公式.理论计算结果表明,在水润湿条件下,油的弛豫过程只与含油饱和度有关,而与岩石的孔隙结构无关.根据理论计算结果对球管模型中水的弛豫进行了数值模拟,模拟结果显示,球和管的主弛豫过程是一个单指数函数,其余部分与之相比可以忽略,即球管模型中水的弛豫可近似为一个双指数衰减过程. 关键词： 核磁共振 弛豫 球管孔隙模型 Bloch控制方程     

算符(f(“非汉字符号”))k正交归一本征态的非经典特性

证明了算符(a^f(n^))k(k≥3)的k个正交归一本征态的完备性,引入了反聚束效应和一种新的高阶压缩,研究了算符(a^f(n^))k的k个本征态的反聚束效应和高阶压缩特性.结果表明,这些态可以构成一个完备的希尔伯特(Hilbert)空间,它们均可呈现反聚束效应,且当k为偶数时它们可呈现M阶[M=(n+12)k;n=0,1,2,…]压缩效应 关键词： 算符(a^f(n^))k的本征态 完备性 反聚束效应 高阶压缩     

Traveling wave solutions for two nonlinear evolution equations with nonlinear terms of any order

In this paper, based on the known first integral method and the Riccati sub-ordinary differential equation (ODE) method, we try to seek the exact solutions of the general Gardner equation and the general Benjamin-Bona-Mahoney equation. As a result, some traveling wave solutions for the two nonlinear equations are established successfully. Also we make a comparison between the two methods. It turns out that the Riccati sub-ODE method is more effective than the first integral method in handling the proposed problems, and more general solutions are constructed by the Riccati sub-ODE method.     

基于(火积)理论的“+”形高导热构形通道实验研究

基于构形理论和■理论,对"+"形高导热通道的方形构造体开展导热实验研究,并对不同优化目标和不同高导热通道布置形式下的构造体导热性能进行比较.结果表明:对于"+"形高导热通道的方形构造体,实验和数值计算所得到的构造体最高温度点均位于"+"形高导热通道两分支之间,实验和数值计算所得到的构造体平均温差和■耗散率的误差均在可接受范围内,这从定性和定量的角度证明了导热构形优化结果的正确性.与"H"形高导热通道的方形构造体相比,构造体内高导热通道采用一级"+"形布置使得其导热■耗散率得到降低.■耗散率最小的一级"+"形高导热通道构造体最优构形与最大温差最小的构造体最优构形相比,前者的导热■耗散率降低了5.98%,但最大温差提高了3.57%.最大温差最小目标有助于提高构造体的热安全性,■耗散率最小目标有助于提高构造体的整体导热性能.在保证热安全性能的前提下,实际微电子器件设计中可采用■耗散率最小的构造体最优构形以提高其整体导热性能.     

薄膜介质层绕式Blumlein线理论与实验研究

对薄膜介质层绕式Blumlein线的特性参数进行了理论分析。采用Pspice软件对电路模型进行了计算,分析了开关电感、寄生电阻对负载输出波形的影响。结果表明:开关电感的存在使得负载波形前沿变缓,后延波形扭曲变差,寄生电阻会影响负载的电压输出效率。采用模拟软件对传输线中的电磁场分布进行了计算,结果表明薄电极边缘场畸变以及折叠弯曲部分的场变化是绝缘介质耐压必须考虑的因素。基于此理论分析,设计制作了一种新型薄膜介质Blumlein线,绝缘材料为聚酯薄膜,单层薄膜厚100μm,电极为厚50μm的铜皮,单元模块设计耐压50 kV。进行了三级模块串联叠加实验,充电25 kV,匹配负载输出60 kV,脉冲上升沿80 ns,脉冲宽度200 ns。