Density functional theory investigation of the structure of SO2 and SO3 on Cu(1 1 1) and Ni(1 1 1)

Density functional theory (DFT) slab calculations, mainly using the generalised gradient approximation, have been used to investigate the minimum energy structures of molecular SO₂ and SO₃ on Cu(1 1 1) and Ni(1 1 1) surfaces. On Ni(1 1 1) the optimal local adsorption structures are in close agreement with experimental results for both molecular species obtained using the X-ray standing wavefield technique, although for adsorbed SO₂ the energetic difference between two alternative lateral positions of the lying-down molecule on the surface is marginally significant. On Cu(1 1 1) the results for adsorbed SO₂, in particular, were sensitive to the DFT functional used in the calculations, but in all cases failed to reproduce the experimentally-established preference for adsorption with the molecular plane perpendicular to the surface. This result is discussed in the context of previously published DFT results for these species adsorbed on Cu(1 0 0). The optimal geometry found for SO₃ on Cu(1 1 1) is similar to that on Ni(1 1 1), providing agreement with experiment regarding the molecular orientation but not the adsorption site.     

在CPM非稳腔Nd:YAG激光器中用被—被动锁模方法选单脉冲的探讨

在CPM Nd:YAG非稳腔激光器中,我们使用透过率较大的可饱和吸收体使单脉冲序列中的脉冲个数减少到3—5个,在输出的单序列中再使用非线性介质进行处理,可以得到比较接近的单脉冲输出。     

二极管激光侧泵浦单横模100Hz电光调Q激光器

介绍了二极管激光侧泵浦单横模１００Ｈｚ电光调Ｑ激光器的实验结果。泵浦源为一个线阵准连续１００Ｗ二极管激光器，激光工作介质为ＮｄＹＡＧ薄梯形板条，板条与泵浦源间用柱透镜耦合，ＫＤ＊Ｐ电光晶体调Ｑ。在１００Ｈｚ重复频率下，获得单脉冲能量２．３７ｍＪ，脉宽小于７ｎｓ，光束质量因子Ｍ２＝１．１的１．０６μｍ激光，光－光效率为８．５％，斜效率为１８．７％。     

镀铜板镀铜量检测分析仪的研制

根据电解剥离原理，采用Cygnal F020单片机为智能部件，研制出的镀铜板镀铜量检测分析仪．本仪器采用微分电位法，使各层界面自动分层难题得到了解决，同时对双电层电容充电电流所引起的测量误差作了修正．该仪器通过USB接口与上位机配合使用，具有小型轻便、操作界面友好和检测数据精确等特点，并具有本机显示和打印测量结果的功能．     

半导体单晶硅的离子束蚀刻实验研究

离子束蚀刻是一种有超精细加工能力的微细加工技术,广泛应用于微电子、光子技术、表面科学等领域。硅及其化合物常用来制作大规模集成电路,在其表面蚀刻出具有一定几何布图尺寸的沟槽。其深度、宽度、边壁倾角及槽底形状等直接影响器件的性能。     

近终形连铸技术的发展状况

近终形连铸技术是当今冶金科技领域的一门前沿学科。本文介绍目前近终形连铸技术的发展及趋势。在世界各国的研究中，美国比较注重单辊法，日本侧重于双辊法，西欧则侧重于改进结晶器的结构和功能，开发新型铸机     

预测气吹精密播种机排种质量的一种简易方法

通过对气吹式精密播种机田间试验资料的相关分析，发现合格指数Ａ与｜Ｄ－Ｍ｜（重播指数与漏播指数之差的绝对值）之间里极显著负相关（ｒ＝－０．９３１２）。在对数据作进一步回归分析的基础上，本文建立了一套“由排种粒数预测排种质量”的方法。     

对DEBUG实用程序的一点改进──使DEBUG能跟踪“反跟踪软件”

作者提出对ＩＢＭＰＣ系列微机上ＤＥＢＵＧ实用程序的一种改进方法，即通过修改单步中断和断点中断的处理程序，使之能跟踪“反跟踪软件”，这对软件解密和病毒分析无疑是有用的。     

Effect of nanotube functionalization on the properties of single‐walled carbon nanotube/polyurethane composites

A commercially available aliphatic thermoplastic polyurethane formulated with a methylene bis(cyclohexyl) diisocyanate hard segment and a poly(tetramethylene oxide) soft segment and chain‐extended with 1,4‐butanediol was dissolved in dimethylformamide and mixed with dispersed single‐walled carbon nanotubes. The properties of composites made with unfunctionalized nanotubes were compared with the properties of composites made with nanotubes functionalized to contain hydroxyl groups. Functionalization almost eliminated the conductivity of the tubes according to the conductivity of the composites above the percolation threshold. In most cases, functionalized and unfunctionalized tubes yielded composites with statistically identical mechanical properties. However, composites made with functionalized tubes did have a slightly higher modulus in the rubbery plateau region at higher nanotube fractions. Small‐angle X‐ray scattering patterns indicated that the dispersion reached a plateau in the unfunctionalized composites that was consistent with the plateau in the rubbery plateau region. The room‐temperature modulus and tensile strength increase was proportionally higher than almost all increases seen previously in thermoplastic polyurethanes; however, the increase was still an order of magnitude below what has been reported for the best nanotube–polymer systems. Nanotube addition increased the hard‐segment glass transition temperature slightly, whereas the soft‐segment glass transition was so diffuse that no conclusions could be drawn. Unfunctionalized tubes suppressed the crystallization of the hard segment; whereas functionalized tubes had no effect. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 490–501, 2007