不同算法原子电荷下的~1J_(CH)理论计算

用一种计算直接键连原子核自旋耦合常数的半经验公式,结合量子化学计算得到的32种有机分子稳定几何构型的7种不同算法下的原子电荷,探究原子电荷算法的不同对1JCH理论计算的影响,拟合出基于7种原子电荷的耦合常数计算公式,并利用拟合公式对5种分子进行了检验.计算结果表明拟合的32种分子及检验的5种分子的耦合常数的计算值均与实验值较好的符合,拟合得到的基于7种原子电荷的计算公式均可以对其他分子体系的耦合常数进行预测.另外,计算结果同样显示原子电荷算法的不同对1JCH理论计算值有一定的影响却不显著,其中基于电荷均衡方法电荷(QEq)得出的耦合常数计算值与实验值的偏差较其它6种原子电荷的小,结果更可靠.     

An STM study of the localized atomic reaction of 1,2- and 1,4-dibromobenzene at Si(1 1 1)-7 × 7

A comparative study is reported of the thermal reaction of 1,2- and 1,4-dibromobenzene (1,2- and 1,4-diBrPh) on Si(1 1 1)-7 × 7, investigated by STM. Some results are given for the intermediate case of 1,3-diBrPh. The STM images gave evidence of a different pattern of reaction to yield pairs of Br-Si for 1,2-, 1,3- and 1,4-diBrPh. The ratio of pairs of Br-Si to single bromination events was 1:2 for 1,2-diBrPh and 1:3 for 1,4-diBrPh. In many cases organic residue from the bromination reaction, R-Si, was evident in the STM image. The products R-Si and Br-Si were found to be bound to adjacent Si, for both 1,2- and 1,4-diBrPh. The mean Br?Br pair separation at the surface depended on the parent molecule, being 7.6 Å for 1,2-diBrPh, 10.3 Å for 1,3-diBrPh, and 11.3 Å for 1,4-diBrPh. These separations are, in each case, about 4 Å greater than the separation of the Br-atoms in the intact parent molecule, which increases systematically down the series. There was a marked decrease in the percentage of R-Si accompanying the Br-Si in going down the series, decreasing from 70% for 1,2- to 20% for 1,4-diBrPh; this was interpreted as being due to a decrease in the percentage of `benzene-mediated' reaction dynamics, in which the benzene ring was bound to the surface. At moderately increased surface temperature (45 °C) the reaction of 1,2- and also 1,4-diBrPh no longer resulted in R-Si formation, suggesting that the dynamics had altered from benzene-mediated to `bromine-mediated'.     

大学物理实验网络教学平台的建构与应用

利用多媒体开发软件及网页制作工具,建构了一个大学物理实验网络教学平台。介绍了此平台的详细设计方案,以及它所具有的功能和特点,探索大学物理实验多媒体网络辅助教学的新应用。     

Design and application of phase photon sieve

The imaging principle of Fresnel zone plate and photon sieve were analyzed in this paper. The design and fabrication of phase photon sieve were discussed. The feasibility of using phase photon sieve to realize nano-lithography was analyzed, a novel lithography experiment system based on phase photon sieve was presented, which not only has higher resolution and image contrast than the Fresnel zone plate lithography but also have higher diffractive efficiency than the amplitude photon sieve lithography.     

Effect of annealing on the nanoscratch behavior of multilayer Si0.8Ge0.2/Si films

In this study, we examined the nanoscratch behavior of annealed multilayered silicon-germanium (SiGe) films comprising alternating sublayers (Si) deposited using an ultrahigh-vacuum chemical vapor deposition (UHV/CVD) system. Annealing consisted of ex situ thermal treatment in a furnace system. We used a nanoscratch technique to investigate the nanotribological behavior of the SiGe films and atomic force microscopy (AFM) to observe deformation phenomena. Our AFM morphological studies of the SiGe films revealed that pile-up phenomena occurred on both sides of each scratch. The scratched surfaces of the SiGe films that had been subjected to various annealing conditions exhibited significantly different features, it is conjectured that cracking dominates in the case of SiGe films while ploughing dominates during the scratching process. We obtained higher coefficients of friction (μ) when the ramped force was set at 6000 μN, rather than 2000 μN, suggesting that annealing of SiGe films leads to higher shear resistance; annealing treatment not only produced misfit dislocations in the form of a significantly wavy sliding surface but also promoted scratching resistance.     

基于Matlab Simulink的物理实验——简谐振动仿真研究

以简谐振动和阻尼振动仿真为例介绍了用Simulink对物理实验进行仿真建模的方法。给出了位移、速度等振动曲线;可对振动过程中的动能、势能以及机械能进行监测。体现出Simulink仿真物理实验的优越性。     

盐酸氯丙嗪1H NMR、 13C NMR谱的归属及结构表征

通过运用¹H-¹H COSY(¹H-¹H COrrelation SpectroscopY)、TOCSY(TOtal Correlation SpectroscopY)、HSQC(Heteronuclear Single Quantum Correlation)、HMBC (Heteronuclear Multiple Bond Correlation)、NOESY(Nuclear Overhauser Enhancement SpectroscopY)等多种二维核磁技术,对盐酸氯丙嗪（Chlorpromazine hydrochloride CPZ· HCl）在CDCl₃、CD₃COCD₃和D₂O三种溶剂中的¹H、¹³C NMR谱进行了准确归属（重点集中于谱峰重叠程度较高的芳香族区域）．实验表明：杂环上N与苯环存在部分共轭;在CDCl₃、CD₃COCD₃中,侧链卷曲至芳环上方处于屏蔽区,且侧链上N为较稳定的四面体构型;比较了CPZ· HCl在不同溶剂与浓度下的¹H NMR谱的变化,对文献中其核磁共振谱（特别是芳香区的谱峰）归属的争议作了解释．量子化学计算结果与实验结果相吻合．     

一种新型近共沸混合工质的循环性能实验研究

文中开展了对一种新型近共沸混合物的整机性能实验研究,该混合物具有零ODP值和低GWP值,可作为传统工质R502甚至是R404A的长期替代物。根据国标GB/T 5773-2004搭建了第二制冷剂量热器的整机性能测试实验台。试验在蒸发温度为-40℃的商用制冷温区进行,系统研究了在不同蒸发温度、冷凝温度、过冷度、过热度等工况下的性能。实验结果与R404A进行了比较,包括压比、压缩机功耗、制冷量、COP、吸气温度。实验结果表明,该新工质COP比R404A高9.2%至14.2%。     

John Bell and the Identical Twins

I present a biographical profile of John S. Bell based upon extensive interviews I had with him. I present Bell‘s views on the quantum theory along with a simple explanation of his identity. Jeremy Bernstein is Professor Emeritus of Physics at the Stevens Institute of Technology and a former staff writer for The New Yorker.