锂离子电池掺钴正极材料电子结构的DV-Xa研究

采用原子基表示的第一原理赝势方法，计算了正极材料LiMn2O4的电子结构，发现LiMn2O4的价带主要是由Mn(8)和Mn(9)的3d轨道和O(7)、O(6)、O(4)的2p轨道构成，导带主要是由Mn(8)和Mn(9)的3d轨道和O(7)的2p轨道构成．通过计算Li5Mn2C0O8的电子结构，发现在LiMn2O4中用钴离子取代16d位锰离子将使电极材料的费米能减小，放电电压降低；锂离子的净电荷增大，锂离子与氧离子的相互作用增强，可逆容量降低；同时由于价带宽度变窄，Co-O键间的相互作用比Mn-O键间的相互作用强，所以，结构稳定性增加，电极循环性能改善．     

钚体源样品γ能谱计算的蒙特卡罗方法

提出了钚体源样品γ能谱分步计算的蒙特卡罗模型和方法.采用分步和直接计算两种方法对球壳形钚体源样品的γ能谱进行了模拟计算.用实验测量的γ能谱验证了计算结果的可靠性，计算结果与实验测量值在10%的误差范围符合.通过对Steve Fetter模型的模拟计算表明：对于外面包有若干屏蔽层的钚体源样品大系统，采用分步方法进行能谱计算，可以使结果快速收敛.     

Light Irradiation through Small Particles and Its Applications for Surface Nanostructuring in Near Field

We investigate the light scattering through small particles and its applications in nanostructuring, such as nanobumping, nanopatterning and dry laser cleaning. The theoretical calculation based on Mie theory provides an exact solution for sphere cavity resonance and plasmon resonance, which are two mechanisms for dielectric and metallic particles assisted surface nanostructuring in near field. The experimental results indicate that nanobumps on glass surface and subwavelength holes array on silicon surface can be formed without cracks with the self-assembly of 1 μm silica particle mask under laser irradiation. It is also found that the scattering wave by 40 nm gold particles can propagate 200 times away in terms of particle radius as recorded by photoresist under the UV light irradiation. Meanwhile, dry laser cleaning of 40nm gold particle on silicon wafer is demonstrated at plasmonic resonance frequency. The total cleaning efficiency is estimated to be 80%.     

两种气液两相流模型的应用和比较

本文应用MUSIG模型[1]和均一直径模型对某溶液堆台架模型堆芯内气液流动传热进行了数值模拟.在MUSIG模型中堆芯内离散相气泡被分为5组不同直径的气泡,用于分析堆芯内气泡的流动变化和大小分布,采用Luo and Svendsen[2]和Prince and Blanch[3]模型描述不同直径气泡组间的破裂和聚合.在均一直径模型中,堆芯内的气体被考虑为同一直径的组分,并且不考虑其破裂与聚合现象.计算得到采用两个模型的模拟结果并且对其进行了对比研究.结果显示应用MUSIG模型的计算结果与台架实验结果吻合更好.     

Photoluminescence Property of Co3O4 Nanowires

Co3O4 nanowire arrays are fabricated by electrodeposition with following heat-treatment in atmosphere ambient. Photoluminescence is investigated at 295K. In the experiment, when increasing the excitation light wavelength from 260 nm to 360 nm, two kinds of emissions corresponding to the increasing excitation light wavelength are observed. One of them alters the excited emission position, another keeps its emission position. The distinct behaviour of excited emissions related to the increasing excitation wavelength indicates that the mechanism of them must be different. According to the experimental comparison and first-principle calculation, the two kinds of emissions are discussed.     

Hydrodynamic Properties of Fe3O4 Kerosene-Based Ferrofluids with Narrow Particle Size Distribution

We investigate the hydrodynamic properties of Fe3O4 kerosene-based ferrofluids with narrow particle size distribution. The ferrofluids are synthesized by improving chemical coprecipitation technique. A narrow distribution of 8.6-10.8nm particle sizes is obtained from the magnetization curve with the free-form model based on the Bayesian inference theory. The fitting result is consistent with average particle size obtained from x-ray diffraction. With the increase of applied magnetic field and magnetic particle concentration, apparent viscosity of ferrofluids increases. At concentration 4.04%, the type of flow for the ferrofluid transforms from Newtonian to Bingham plastic fluid as the applied magnetic field increases.     

光指针式微小位移测量仪

光指针式微小位移测量仪巧用光路将微小的位移量放大,从光指针终端的标度盘上可以直接读取实际的位移数值.     

Molecular Dynamics Simulations of Helium Behaviour in Titanium Crystals

Molecular dynamics simulations are performed to investigate the behaviour of helium atoms in titanium at a temperature of 30OK. The nucleation and growth of helium bubble has been simulated up to 50 helium atoms. The approach to simulate the bubble growth is to add helium atoms one by one to the bubble and let the system evolve. The titanium cohesion is based on the tight binding scheme derived from the embedded atom method, and the helium-titanium interaction is characterized by fitted potential in the form of a Lennard-Jones function. The pressure in small helium bubbles is approximately calculated. The simulation results show that the pressure will decrease with the increasing bubble size, while increase with the increasing helium atoms. An analytic function about the quantitative relationship of the pressure with the bubble size and number of helium atoms is also fitted.     

Cs^＋-K^＋ Exchange in Z-Cut KTiOPO4 Crystal Covered with Chromium Masking Layer

Cs^＋-K^＋ ion exchanges are performed on z-cut KTiOPO4 crystals with chromium coating covered. The temperature of ion exchange is 430℃, and the time range from 15min to 30min. The dark mode spectra of the samples are measured by the prism coupling method. The channel structures on the samples are observed by a microscope and the near field pattern of the channel waveguides are measured by the end-fire coupling method. The refractive index of the samples increases and the increments at surface are modulated due to the existence of Cr film. In the region covered by Cr film, the refractive index of the samples at the surface increases dramatically in a shallow layer. The results of energy dispersive x-ray spectra indicate that in the region covered with Cr film, Cr ions participate in the ion exchange process, and enhance the refractive index. The results may provide a possibility that achieves index enhancement and Cr doping synchronically.     

关于新旧教材比较及对教学的启迪--以万有引力定律教学为案例

l比较新旧教材的意义 对教师而言，比较新旧教材，无疑是教学活动中不可缺少的环节．通过新旧教材的对比，可以使教师掌握教材编排．更重要的是，通过新旧教材对比，让教师更好地领会新旧教材的不同，进而了解编者的意图，体会新课程标准的理念，从而在教学活动中更好地理解和落实新课程标准．下面，笔者以2004年初审通过的广东教育出版社出版的《普通高中课程标准实验教科书物理（必修2）》第三章第一节“万有引力定律”，