用于乙烯环氧化反应的CuCs掺杂银基催化剂设计

最近的理论研究筛选出CuCs掺杂Ag基催化剂是一种高效的乙烯环氧化催化剂[ACS Catal. 11,3371 (2021)]. 然而,该工作是基于研究表面建模预测Ag基催化剂的性能,在实际反应过程中,Ag基催化剂是颗粒状的. 本文结合密度函数理论、Wulff构造理论和微观动力学分析来研究Ag基催化剂在颗粒模型上的催化性能. 研究表明,CuCs掺杂Ag基催化剂在选择性和活性方面都优于纯Ag基催化剂,这一点通过实验得到了证明. 进一步地表征分析发现,CuCs掺杂能促进颗粒的生长以及颗粒的分散,从而形成富含晶界的Ag颗粒. 此外,CuCs促进了催化剂表面亲电氧的形成,这均有利于环氧乙烷的形成和解吸. 本工作为理论与实验相结合的催化剂设计提供了一个案例研究.     

电子束在等离子体微波器件中的脉动

 对填充等离子体漂移空间小脉动电子束进行了近似分析,对大脉动电子束进行了较精确的计算,结果表明虽然α区和β区束的脉动性能各不相同,但幅度和波长均受限于电子入射的初始条件和等离子体参数,当其它条件给定后存在一最佳等离子体填充密度。     

Corrosion inhibition of ammonium molybdate for AA6061 alloy in NaCl solution and its synergistic effect with calcium gluconate

The corrosion inhibition of ammonium heltamolybdate (AH) and calcium gluconate (CG) for AA6061 alloy in 3% NaCl solution was investigated by the electrochemical measurements. It indicates that AH inhibits the corrosion of AA6061 alloy and acts as an anodic inhibitor. Maximum inhibition efficiency reaches 74.3% at the concentration of 1 × 10^?4 mol.l^?1 AH. The results of the electrochemical studies reveal AH is physically adsorbed on the AA6061 alloy surface and the adsorption follows Langmuir isotherm. The combination of AH and CG enhances the inhibition efficiency to 95.9%. The enhanced inhibition is attributed to the promotion of AH adsorption by CG. The mixture of AH and CG is a mixed‐type inhibitor and renders the corrosion potential to more positive values. Copyright © 2011 John Wiley & Sons, Ltd.     

Nanoscale Broadband Viscoelastic Spectroscopy of Soft Materials Using Iterative Control

A novel approach to nanoscale broadband viscoelastic spectroscopy is presented. The proposed approach utilizes the recently developed modeling-free inversion-based iterative control (MIIC) technique to achieve accurate measurement of the material response to the applied excitation force over a broad frequency band. Scanning probe microscope (SPM) and nanoindenter have become enabling tools to quantitatively measure the mechanical properties of a wide variety of materials at nanoscale. Current nanomechanical measurement, however, is limited by the slow measurement speed: the nanomechanical measurement is slow and narrow-banded and thus not capable of measuring rate-dependent phenomena of materials. As a result, large measurement (temporal) errors are generated when material is undergoing dynamic evolution during the measurement. The low-speed operation of SPM is due to the inability of current approaches to (1) rapidly excite the broadband nanomechanical behavior of materials, and (2) compensate for the convolution of the hardware adverse effects with the material response during high-speed measurements. These adverse effects include the hysteresis of the piezo actuator (used to position the probe relative to the sample); the vibrational dynamics of the piezo actuator and the cantilever along with the related mechanical mounting; and the dynamics uncertainties caused by the probe variation and the operation condition. In the proposed approach, an input force signal with frequency characteristics of band-limited white-noise is utilized to rapidly excite the nanomechanical response of materials over a broad frequency range. The MIIC technique is used to compensate for the hardware adverse effects, thereby allowing the precise application of such an excitation force and measurement of the material response (to the applied force). The proposed approach is illustrated by implementing it to measure the frequency-dependent plane-strain modulus of poly(dimethylsiloxane) (PDMS) over a broad frequency range extending over 3 orders of magnitude (~1 Hz to 4.5 kHz).     

基于微极性弹性力学的碳纳米管中波的传播特性

基于微极性弹性理论推导出的碳纳米管的应力-应变关系，使用哈密顿原理建立了碳纳米管的动力学微分方程. 通过求动力学微分方程的波动解，获得碳纳米管中波的频率与波数的关系即弥散关系，另外还得到了波的群速度和特征波面. 对所得结果进行了讨论. 关键词： 微极性弹性力学 碳纳米管 群速度 特征波面     

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.     

发展在XLPE电缆绝缘内外侧的电树枝

以XLPE高压电力电缆内外侧绝缘中的电树枝特性为研究对象，通过分析电树枝引发与生长的统计实验规律和采用扫描电子显微镜分析发现，由于不同结晶状态的影响，电缆绝缘内外侧的电树枝特性存在很大的差异.引发于绝缘内侧电树枝引发时间短、生长速度快、电树枝形状具有多样性；起始于绝缘外侧的电树枝不仅引发时间长、生长速度极慢，而且电树枝形状(结构)比较单一.并对这两个位置电树枝的引发和生长机理进行了探讨. 关键词： 电树枝 结晶状态 统计规律 内侧和外侧绝缘层     

Catalyst-controlled diastereoselective ring-opening formal [3+2]-cycloadditions of arylvinyl oxirane 2,2-diesters with cyclic N-sulfonyl imines

A diastereoselectivity-controllable formal [3+2]-cycloaddition of arylvinyl oxirane 2,2-diesters with cyclic N-sulfonyl imines is developed, affording the corresponding tricyclic oxazolidine derivatives in moderate to excellent yields with excellent diastereoselectivities in the presence of palladium(0) or scandium(III) triflate. This protocol allows selective synthesis of diastereomers of tricyclic oxazolidine derivatives under switchable and mild conditions. Further transformations of the obtained products were conducted by removing ester groups and arylvinyl moieties.     

有阻尼的二阶脉冲无穷时滞泛函微分方程解的存在性

应用Kuratowski非紧性测度和分段估计方法,研究Banach空间中有阻尼的二阶脉冲无穷时滞泛函微分方程mild解的存在性和正则性.脉冲项的紧性条件,先验估计和非紧性测度估计的限制条件没有被使用,所得结果不同于许多已知的结果.作为应用,举了两个例子说明该文的结果.