Molecular dynamics simulation of processing using AFM pin tool

A three-dimensional molecular dynamics (MD) model is utilized to investigate the effect of tool geometry on the deformation process of the workpiece and the nature of deformation process at the atomic-scale. Results show that different states exist between the atomic force microscope (AFM) pin tool and the workpiece surface, i.e. the non-wear state, the ploughing state, the state in which ploughing is dominant and the state in which cutting plays a key role. A relationship between the deformation process of the workpiece and the potential energy variation is presented. The potential energy variation of atoms in different deformed regions in the workpiece such as plastically deformed region, elastically deformed region and the mixed deformation region is different. The features of variations of potential energy are discussed.     

复合体系方法测量液体力学谱

本文介绍了采用复合体系，测量得到凝聚态物质从固态到液态连续变化力学谱的一种新的实验方法。以簧振动为例，给出了解析的计算公式，以及应用条件。通过进一步综合分析，得到具有更广应用范围的近似公式，可以近似应用于其他不同的振动模式，如低频扭摆。应用新的测量方法，给出了典型小分子玻璃材料甘油和碳酸丙稀从玻璃态到液态的力学谱，观察到甘油和碳酸丙稀玻璃化转变、碳酸丙稀的再结晶、熔化和挥发的过程；测量得到挥发过程中水的质量随时间精确变化的曲线。最后，本文给出了新方法的一些应用展望。     

电子束产生大尺度等离子体过程的数值模拟研究

建立了一个四组分一维混合模型，对电子束注入大气产生大尺度等离子体的过程进行了数值模拟.结果表明了能量为140keV、流强为50mA/cm²的注入电子束，可以产生线度为0.5m，密度为10¹²cm^-3量级的大气环境下等离子体.电子束所伴随的空间电荷效应由于等离子体的产生会很快消失，不影响后续的等离子体产生过程.电子束注入流强主要影响产生等离子体的密度，而电子束能量则同时影响其空间线度和密度. 关键词： 电子束 碰撞 电离     

Synthesis and biological activity of S-oxo-[(methylthio)-methyl]cysteinols

A convenient route was developed to synthesize S-oxo-[(methylthio)-methyl]cysteinols on a large scale from cheap l-serine as the starting material. The structures of diastereoisomers were determined by NMR, CD spectra, and X-ray diffraction analysis. All four diastereoisomers were examined for their ability to inhibit certain bacteria from growing.     

空气/水界面水分子的取向和运动

对四种不同的实验构型下空气／水界面自由O-H键在3700cm~(-1)的和频振动光谱的分析表明,水分子在空气／水界面的取向运动只可能是在平衡位置附近有限角度之内的受限转动。界面水分子的自由O-H键取向距界面法线约33°,而取向分布或运动的宽度不超过15°。这一图像显著地不同于Wei等人(Phys. Rev. Lett.86,4799(2001))只通过单一的SFG实验构型所得出结论,即：空气／水界面的水分子在超快的振动弛豫时间内在很大的角度范围内运动。     

锐钛矿二氧化钛超细纳米晶的三声子互作用

本文通过对粒径为2.2-25.5nm的锐钛矿二氧化钛超细纳米晶在83-293 K温度范围内的变温拉曼光谱的研究,得到了三声子互作用对拉曼频率和线宽的贡献随粒径的变化关系。结果表明锐钛矿二氧化钛超细纳米晶的三声子相互作用随粒径减小而加强。     

现代天文谱新篇——IAU投票界定太阳系行星

在2006年8月24日当地时间下午2点（北京时间晚9点30分）于捷克首都布拉格会议中心举行的国际天文学联合会IAU第26届代表大会上，来自不同国家的近500名正式代表，以举手表决的方式通过了执委会提出的关于太阳系行星定义的决议．该决议第一次明确提出了太阳系天体的分类规则：把太阳系中的行星和其他天体分为行星、矮行星、太阳系小天体三类；把矮行星中以冥王星为标志的海王外天体分为一个新的族。     

掺钕聚甲基丙烯酸甲酯的光学特性

研究了制备的掺钕螯合物Nd(DBM)3Phen材料的吸收光谱、激发光谱、荧光光谱,应用Judd-Ofelt理论计算了该材料的强度参量．分析了钕离子激发态4F3／2的辐射寿命(631 μs)和4F3／2→4IJ′跃迁的受激发射截面和荧光分支比．     

A Facile Synthesis of α-Phenylthio-α,β-Unsatuated Esters

α-phenylthio-α，β-unsaturated esters 6 were synthesized by Witting reaction of 3.which were prepared by a phenylsulfenyllation-trans-ylidation reaction.     

Fiberings with Fiber RP（κ）

Let κ be non-negative integer. The unoriented bordism classes, which can be represented as [RP（ξ^κ）] where ξ^κ is a k-plane bundle, form an ideal of the unoriented bordism ring MO.. A group of generators of this ideal expressed by a base of MO. and a necessary and sufficient condition for a bordism class to belong to this ideal are given.