等原子的

The effects of excess air coefficient and cylinder pressure on these spectra are also studied. The experimental resultS show that the three different combustion phases in a gasoline engine have different combustion characteristic spectra: a large number of atoms, molecules, ions and radicals which are in their excited states are existing during the ignition process, with the development of the combustion, the spectra intensities of CH, C2 radicals increase rapidly.

实验结果表明，汽油机三个不同的燃烧阶段具有不同的燃烧光谱特征：着火过程中，存在着大量的处于激发态的分子、原子、离子、自由基等活化中心的束缚态光谱，随着燃烧发展，CH、C2自由基的光谱强度明显加强；当减小过量空气系数时，光谱强度变弱并且着火延迟期增长；自由基特征光谱的光强变化曲线可以反映它们在燃烧过程中的浓度变化。

For the first time, connected the optical characters and its components and density of jadeite. The additivity of refractivity extend the application on single mineral to jadeite which with some components, and illuminates the refractivity should be increased while C〓 increased.

首次将翡翠的光学性质与其成分、密度等联系起来，计算了翡翠中硬玉的理论折射率，折射率的加和性将适用于单矿物的理论推广于具多种矿物组合的翡翠，推导了硬玉的折射率与晶体结构和原子结构的关系，指出C〓在晶体中含量的增加会引起折射率的增高。

The dispersion of particles are also related to the interactionbetween nanosilver and polymer. Nanosilver dispersed well in PS, while form larger branchedclusters in PMMA, and polymers could prevent nanoparticles from aggregation. The interaction between nanosilver and polymers depends on the properties of polymers and treatment. XPS results indicated that no obvious interaction between nanosilver and PS was foundbefore and after heat treatment; for AS matrix, there exists a interaction between nanosilver and AN,moreover AN on the nanosilver surface could cyclize and lose N after heat treatment at 150℃ for1h; for PMMA matrix, there exists a interaction between nanosilver and O atoms, heat treatment at150℃ for 1h could lead to the reaction between Ag, S and O in the interlayer of composite andchange the interface interaction.

纳米银粒子的加入改变了聚合物体系对激光能量的吸收和转换方式，导致其激光离解方式的变化，通常此种粒子会促进聚合物的炭化，且在界面可能有诱导石墨化的作用；而银粒子自身的离解及其对基体激光离解的作用都受两相的界面相互作用的影响，即与聚合物基体的性质、后处理等有关，热处理后两相界面的变化对PS和AS体系的炭化影响不大，但PS体系中银团簇的最大原子聚集数减小；而对PMMA体系则基本上消除了激光炭化。

A new theoretical model, the 2CLJDQP potential function, was developed for linear molecules, which takes into account dipole, quadrupole and induction effects as well as the rotation of the dipole out of the molecular axis. The energy parameters were optimized for various types of fluids. With the modified mixing rules, the potential parameters obtained from homonuclear molecules can be used to calculate the second virial coefficients of heteronuclear molecules. The model was also successfully extended to triatomic molecules. Analysis of the contributions to the second virial coefficients of long-range interactions shows that the molecular interactions introduced in the present model, such as, the induction effects, cannot be neglected.

建立了全新的线型分子2CLJDQP势能模型，考虑了偶极作用、四极作用及诱导作用的影响，还考虑了极轴与分子轴不平行的情况；回归了多种线型分子的势能参数；通过改进混合规则，可应用同核线型分子的势能参数直接计算异核线型分子的第二维里系数；扩展该模型可用于线型三原子分子计算；讨论了各长程引力项对第二维里系数的贡献，结果表明本模型引入诱导作用等是十分必要的。

In chapter 4, by AREELS, the Generalized Oscillator Strength Density Spectra were measured in the energy region from 56 to 66eV, with the incident energy 2. 5 keV and energy resolution 80 meV, at scattering angles from 0°to 6°, corresponding to the momentum transfer K〓=0.03~2. 01 a. u. The Fano profile parameters f〓 and q for the optically allowed transition 〓(0, 1)〓P°and the optically forbidden transitions 〓(1, 0)〓S〓and 〓(1, 0)〓D〓 were obtained as a function of K〓. With the hyperspherical coordinate wavefunctions, the dynamical correlation are discussed qualitatively. So, a new experimental way to study dynamical electron correlation effect is opened.In chapter 5, the widely used R-matrix theory was introduced. Then, the GOSDS for the optically allowed excitation series (1s〓)〓S〓→〓(0, 1)〓P°(n=2-4) were calculated by this method, and the Fano profile parameters f〓 and q were obtained sequently. So the electron correlation effect can be described by these parameters quantitatively, and the theoretical results were compared with our AREELS experimental results.

在第四章中，实验上，同样使用角分辨的高能量分辨快电子能量损失谱仪，在2.5keV电子入射能量和80meV的能量分辨下，测量了0°到6°散射角下的He原子双电子激发态在56~66eV的广义振子强度密度谱，这种情况，0°~6°对应的动量转移范围K〓=0.03~2.01a.u。，得到了光学允许跃迁的双电子激发态〓（0，1）〓P〓和光学禁戒跃迁的双电子激发态〓（1，0）〓S〓、〓（1，0）〓D〓的Fano线形参数f〓，q等随动量转移变化的曲线；观测到了几个强度很弱、能级很窄的光学允许和禁戒跃迁双电子激发态，用前人准确的理论结果进行了标识；通过比较弱共振〓（1，0）〓S〓和〓（-1，0）〓S〓的强度随动量转移K〓的变化规律，结合超球坐标理论计算的波函数，定性地阐述了在电子碰撞散射过程中它们各自不同的动力学电子关联效应，发展了一套在实验上研究电子关联效应的新方法。

Applying the Large-scale multi-configuration Dirac-Fock wave functions, we calculated the parameters such as wavelength, oscillator strengths and excited energy for the transitions related to lightning spectra. The most important effects of relativity, correlation, and relaxation are included in the computational model. Comparison of the calculated results with experimental spectra shows that the spectra in plateau area have a distinctive characteristic. Beside the lines of lower excited state with n=3 in NII ions, transitions of NI and OI are increased, their excited energy is around 13~14eV, and there are rarely lines from OII ion.

将原子结构的理论应用於闪电光谱的研究，用多组态Dirac-Fock方法，计算了有关光谱线的波长、振子强度以及相应的激发态能量等参数，理论与试验观测资料进行比较分析后发现，高原地区闪电首次回击光谱的结构及跃迁特性与其他地区有明显的区别，除NII离子n=3的低激发态产生的跃迁谱线外，激发能量为13~14eV左右的中性NI和OI的跃迁增多，但很难观测到OII离子的跃迁谱线。

A pplying the Largescale multiconfiguration DiracFock wave functions, we cal culated the paramete rs such as wavelength, oscillator strengths and excited energy for the transitio ns related to lightning spectra. The most important effects of relativity, corre lation, and relaxation are included in the computational model. Comparison of th e calculated results with experimental spectra shows that the spectra in plateau area have a distinctive characteristic. Beside the lines of lower excited state with n=3 in NII ions, transitions of NI and OI are increased,their excited energy is around 13～14eV, and there are rarely lines from OII ion.

将原子结构的理论应用于闪电光谱的研究，用多组态DiracFock方法，计算了有关光谱线的波长、振子强度以及相应的激发态能量等参数，理论与试验观测资料进行比较分析后发现，高原地区闪电首次回击光谱的结构及跃迁特性与其他地区有明显的区别，除NII离子n=3 的低激发态产生的跃迁谱线外，激发能量为13～14eV左右的中性NI和OI的跃迁增多，但很难观测到OII离子的跃迁谱线。

It is included the energy spectrum and angular distribution of hot electrons generated by ultrashort laser-solid interaction, the effect to electron behavior of electrical conductivity of target material, the hot electron activities and plasma characteristics in various plasma scale length, the rule of electron movement related to the high harmonic generation in gas, the excelled calculation about the condition of high harmonic generation, the study of electron spectrum and ion spectrum generated by Coulomb explosion in laser cluster interaction.

其中包括超短脉冲激光与固体靶作用中超热电子的能谱和角度分布，靶材料的电导率对电子行为的影响以及在不同的密度标长条件下超热电子和与电子相关的等离子体特征；超短脉冲激光与气体靶相互作用中与高次谐波相关的电子的具体运动规律和产生短波长高次谐波的优化条件；超短脉冲激光与团簇原子相互作用中通过对电子的隧道电离而引起的库仑爆炸等。

For non-diagonal processes there is "Coherent enhancement" therefore the one-phonon processes are more important than the two-phonon processes; At the same time, we presented a new theoretical framework of phonon-assisted energy transfer, in which the running lattice wave theory is introduced instead of the Debye theory for phonons,therefore emphasizes the important effects of optical phonons and coherence effects of anisotropic lattice waves etc.

非对角过程中的干涉是相加的，因而首先应考虑单声子而非双声子过程；接着，用计及原子尺度上晶体结构的&格波模声子&取代各向同性连续介质模型中&德拜声子&来描述所涉声子，提出了新的声子协助的能量传递理论，指出了德拜模型中没有的&光学声子的重要性&和&各向异性的格波干渋&等新视点。

The results show that perfect anatase nanocrystalline TiO2 can be obtained by SGRTSE method and the photocatalytic activity of TiO2 can be improved by doping and surface treatment. In the experimental system, the addings of proper salts are beneficial to the photocatalytic degradation of DBSNa. The pH value of solution, adding amount of TiO2, flow rate of air, and initial concentration are the main influence factors for the photocatalytic degradation of methyl orange, and the apparent reaction order is pseudo-first-order, which could be described by Langmuir- Hinshelwood equation.

结果表明：sol-gel法结合室温溶剂蒸发诱导可制备出晶型良好的锐钛型纳米TiO_2；过渡元素和稀土元素杂原子掺杂，贵金属掺杂和表面酸化处理是有效提高TiO_2光催化活性的途径；试验体系中，在DBSNa的降解过程中加入适量的盐，可以大大加速降解效果；光催化降解水中有机物，溶液pH值，TiO_2投加量，曝气速率，被降解物起始浓度等是影响降解效果的重要因素；对起始浓度较低的有机物光催化降解过程可利用简化的Langmuir-Hinshelwood动力学方程进行描述，反应级数为拟一级。

It has been put forward that there exists single Ball point and double Ball points on the symmetrical connecting-rod curves of equilateral mechanisms.

从鲍尔点的形成原理出发，分析对称连杆曲线上鲍尔点的产生条件，提出等边机构的对称连杆曲线上有单鲍尔点和双鲍尔点。

The factory affiliated to the Group primarily manufactures multiple-purpose pincers, baking kits, knives, scissors, kitchenware, gardening tools and beauty care kits as well as other hardware tools, the annual production value of which reaches US$ 30 million dollars.

集团所属工厂主要生产多用钳、烤具、刀具、剪刀、厨具、花园工具、美容套等五金产品，年生产总值3000万美元，产品价廉物美、选料上乘、质量保证，深受国内外客户的青睐