Multifunctional ToF-SIMS: combinatorial mapping of gradient energy substrates

We present a simple method for chemical modification of chlorosilane self-assembled monolayers (SAMs) on Si surfaces by exposure to a gradient of UV-ozone radiation to create stable substrates with a range of contact angles (θ_H2O≈5–95°) and surface energies on a single substrate. These gradient energy substrates are developed to potentially generate libraries for combinatorial studies of thin film phenomenology, where a systematic variation of interfacial surface energy represents one of the significant parameters along one axis. The graded oxidation process presents a systematic variation of surface chemical composition. We have utilized contact angle measurements and time-of-flight secondary ion mass spectrometry (ToF-SIMS) to investigate this variation for a series of ions, among which are SiCH₃⁺, SiOH⁺ and COOH⁻. We show that the macroscopic measurements of surface free energy/contact angle correlate with the detailed analysis of surface chemistry (as assessed by ToF-SIMS) on these test substrates.     

自由基-分子反应:F+Propene(CH2CHCH3)的从头算研究

采用从头算CCSD(T)/6-311 G(2d,2p)//B3LYP/6-311G(d,p)方法,研究了自由基-分子反应F CH2CHCH3的各种不同的反应通道．该反应主要是通过复合物形成机制进行,即F分别加到碳碳双键的两端形成自由基复合物1和2．这两种亚稳态自由基会解离成三种产物:H C3H5F、CH3 C2H3F和HF C3H5．理论计算结果表明,生成CH3 C2H3F是反应的主要通道,而生成H C3H5F和HF C3H5对产物也有一定的贡献．这一结果和实验符合得很好．     

DESIGN OF A NOVEL 2-D UNIPLANAR CRLH-TL STRUCTURE

A novel uniplanar 2-D composite right/left-handed transmission line (CRLH-TL) structure is proposed based on a general transmission line theory and the way to increase the relative operating bandwidth in the left-handed (LH) region and lower the LH operating frequency is illustrated. In addition, a new method to extract parameters and calculate the Bloch impedance of the structure is presented. Numerical results of the dispersion as well as the extracted parameters are given, which are calculated based on full-wave simulation. The present 2-D uniplanar CRLH-TL structure is applicable to 2-D left-handed materials in lower and wider LH frequency range. Supported by the National Natural Science Foundation of China (No. 60371010) (No. 60471037) (No. 63531020)     

Ab Initio Study on the Isomerization and Dehydrogenation of Methylnitrene

The ab initio calculations were performed at the RHF/4-31G level with the reaction pathways of the iso-merization and dehydrogenation of methylnitrene by the intrinsic reaction coordinate method. The results show that the transformation from methylnitrene to methylenimine would be very easy. This accountes for the experimental fact that one couldn' t find the methylnitrene, but only obtained the methylenimine in the pyrolysis of methyl azide. The mode-selective study reveals the reaction coordinates (IRC) of isomerization and dehydrogenation of methylnitrene are associated with the molecular deformation mode of 1191 cm-1 and the methyl group unsymmetrical stretch mode, respectively. The coupling between normal coordinates is favourable to select the reaction channel of isomerization.     

On boundary integral equations in electroelasticity

A class of plane electroelasticity problems of the steady vibrations of bodies with a smooth boundary is studied. A system of boundary integral equations for the components of the displacement vector and the potential is formulated on the basis of the fundamental solution constructed and its analysis.     

Iterative solutions for low lying excited states of a class of SchrSdinger equation

The convergent iterative procedure for solving the groundstate Schr?dinger equation is extended to derive the excitation energy and the wavefunction of the low-lying excited states. The method is applied to the one-dimensional quartic potential problem. The results show that the iterative solution converges rapidly when the coupling g is not too small.     

T-C模型中虚光子过程对光场压缩效应的影响

利用全量子理论,研究非旋波近似下TC模型中受激场的压缩效应.结果表明:非旋波近似下,由于虚光场的影响,Q的演化曲线出现了“小锯齿状”,表现为系统的量子噪声,随着ω和n的增大,量子噪声分别减小和增大,虚光子过程使光场的压缩程度明显加深;研究结果还揭示了原子场耦合系数λ及原子间耦合系数g与光场压缩效应的关系. 关键词： T-C模型 非旋波近似 压缩效应 量子噪声     

Design and Cold Tests of Asymmetric Quasioptical Resonators

This paper presents the design and test of asymmetric quasioptical resonators for gyrotron applications, where most of the diffraction output coupling comes from the smaller of two mirrors. A computer code based on scalar diffraction theory is used to calculate the resonator losses and the electric field near the mirrors. Resonators with mirror separations approaching confocal have reduced side lobes in the diffraction patterns, which should allow for better power transmission and focusing. Cold tests have been performed at 94 and 141 GHz to measure the quality factor of the asymmetric resonators as a function of mirror separation and mirror misalignment. Typical resonator parameters include 65 cm mirror separation, 1-3% output coupling and 85% of the losses from the small mirror. A half-symmetric resonator with one flat and one curved mirror has also been investigated. The calculated values of Q are in reasonably good agreement with the cold test measurements.