空位在金刚石近(001)表面扩散的分子动力学模拟

用分子动力学方法模拟了空位在金刚石近(001)表面的扩散过程,研究了温度对空位扩散的影响.结果表明,当温度为1000K左右时,位于近表面第二层上的空位开始向表面运动;当温度在1400—2000K时,空位完全扩散到表面.这与实验结果和其他计算结果符合得很好.同时发现,温度为1400—1800K时,空位的扩散经历了两次迁移运动,其分别对应了均方位移图中的两个极大值.在不施加任何约束的条件下得到了空位的动态扩散路径,空位在金刚石近(001)表面的扩散势垒约为042eV.并探讨了一定温度下空位数目增多及其不同排列 关键词： 金刚石 空位 扩散 分子动力学     

电子辐照诱发固态相变导致的氮化硼纳米结构生长

报道了N+离子轰击产生的氮化硼(BN)纳米结构,及在电子辐照时结构演化的高分辨透射电子显微镜的原位测定结果.应当强调的是,这种类富勒烯和发夹结构的演化,实际上是电子辐照诱发固态相变的发展,观察中发现的一些BN颗粒、卷曲物,可以被认为是类富勒烯等纳米结构形成的前体或早期阶段.提出了一种类富勒烯等结构的电子辐照动力学模型,并进行了讨论. 关键词： 氮化硼 电子辐照 透射电子显微镜 氮化硼纳米形成物     

准Λ型四能级系统中的超窄谱线的研究

在一般Λ型三能级模型的基础上提出准Λ型四能级系统,并对准Λ型四能级模型的共振荧光谱作了详尽的研究.从上能级向两边下能级辐射的自发辐射谱中产生了三个超窄谱线,且在很大参数范围内光谱具有这一特性.三个超窄谱线的产生是和两个相干驱动场的Rabi频率密切相关,在较大的Rabi频率作用下谱线会变得更窄,而当只有一个驱动场作用时是不会产生谱线变窄效应的.能级间的碰撞弛豫和非相干激发严重地破坏了谱线变窄.这种超窄谱线效应是多通道量子干涉的结果 关键词： 准Λ型四能级系统 超窄谱线 多通道量子干涉     

抽运激光在光靶中的局域及其对X射线激光特性的影响

新型X射线靶设计为:由SiO2和TiO2组成具有12个周期的一维光子晶体,在它的中间嵌入光靶材料层作为缺陷层,SiO2,TiO2和光靶层的光学厚度分别为λ4、λ4和λ2,λ为抽运激光波长.与普通平板光靶相比,当抽运光垂直照射到这种光靶时,靶层内部的光强将提高2个数量级,所以抽运激光的阈值强度将降低2个数量级,这有利于X射线激光的小型化.在同样的抽运激光照射下,X射线激光的强度将提高4个数量级,转换效率也将提高约4个数量级.由于平均电离度随抽运激光强度的提高而提高,所以采用这种光靶有利于使X射线激光向短波长推进. 关键词： X射线激光 光子晶体 光波局域     

两亲性嵌段聚合物的同步辐射小角x射线散射研究

应用同步辐射小角x射线散射(SAXS)方法研究了不同聚合条件下苯乙烯对乙烯基苯甲酸两亲性嵌段聚合物的聚集行为,结果发现该聚合物在选择性溶液中自组装形成胶束.胶束的形态和结构取决于嵌段聚合物的组成、浓度以及溶剂的性质等因素 关键词： 小角x射线散射 两亲性嵌段聚合物 分形维数 粒径     

Phase rotation scheme of laser-produced ions for reduction of the energy spread

In order to widely spread out particle beams utilized in cancer therapy, laser-produced ions are developed as the injection beam for an ion synchrotron dedicated for cancer therapy. Such a laser ion source is expected to contribute largely to the realization of compactness of the size and low cost of the cancer therapy accelerator. The energy spectrum of the laser-produced ions, however, has no peak, but their intensities decrease exponentially according to the increase of the energy. For the purpose of modifying such a situation, we have proposed a scheme to rotate the beam in the longitudinal phase space with the use of the RF electric field, which is phase-adjusted with the pulse laser. We aim for a reduction of the energy spread of ± 5% selected by an energy analyzer and slits to ±1% by such phase rotation. For this purpose, a quarter wavelength resonator with two gaps with the same resonant frequency as the source laser has already been fabricated, together with its RF power source. The above phase rotation system and its recent experimental realization are presented.     

Optimal design of a convergent-barrel cold spray nozzle by numerical method

A convergent-barrel (CB) cold spray nozzle was designed through numerical simulation. It was found that the main factors influencing significantly particle velocity and temperature include the length and diameter of the barrel section, the nature of the accelerating gas and its pressure and temperature, and the particle size. Particles can achieve a relatively low velocity but a high temperature under the same gas pressure using a CB nozzle compared to a convergent-divergent (CD) nozzle. The experiment results with Cu powder using the designed CB nozzle confirmed that particle deposition can be realized under a lower gas pressure with a CB nozzle.     

Polar oscillation and dispersion properties of quasi-confined optical phonon modes in a wurtzite GaN/AlxGa1−xN nanowire

Under the dielectric continuum model and Loudon’s uniaxial crystal model, the properties of the quasi-confined (QC) optical phonon dispersions and the electron-QC phonons coupling functions in a cylindrical wurtzite nanowire are deduced via the method of electrostatic potential expanding. Numerical computations on a GaN/Al_0.15Ga_0.85N wurtzite nanowire are performed. Results reveal that, for a definite axial wave number k_z and a certain azimuthal quantum number m, there are infinite branches of QC modes. The frequencies of these QC modes fall into two regions, i.e. a high frequency region and a low frequency region. The dispersion of the QC modes are quite apparant only when k_z and m are small. The lower-order QC modes in the higher frequency region play more important role in the electron-QC phonon interactions. Moreover, for the higher-order QC modes in the high frequency region, the electrostatic potentials “escaping” out of the well-layer material nearly could be ignored.     

Effect of end groups on complexation kinetics between cyclodextrins and guest polymers

α‐Cyclodextrin (α‐CD) has been complexed with various poly(ethylene glycol) (PEG) derivatives in aqueous solution. It has been found that the end groups of PEG derivatives affect the complexation kinetics greatly, but have only a little influence on the thermodynamic behavior. By increasing the hydrophobicity of end groups, the complexation speeds up rapidly. On the other hand, the bulky end groups slow down the threading of polymeric guests into the cavity of CD. By changing the hydrophobicity and the size of end groups, the complexation rate can be adjusted in the range of several orders of magnitudes, which should be quite useful in the design of new supramolecular systems. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2050–2057, 2006     

Detecting and Diagnostic Checking Multivariate Conditional Heteroscedastic Time Series Models

Two tests for multivariate conditional heteroscedastic models are proposed. One is based on the cross-correlations of standardized squared residuals and the other is a score (Lagrange multiplier) test. The cross-correlations test can be used to detect the presence of multivariate conditional heteroscedasticity whereas the other test can be used for diagnostic checking. Simulation studies on the size and power of the test statistics are reported. The application of the tests is illustrated by an example using the S & P 500 and Sydney All Ordinary Indexes.