C D : a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density

A program to compute many functions dependent on the electron density ρ(r) from the results of ab initio molecular calculations is presented. The program allows the generation of different one-, two-, and three-dimensional grids for further graphical representation or numerical analysis. Other options like extracting separate atom contributions to the function computed or locating maximum and minimum values are also implemented. A number of illustrative applications regarding different ρ(r)-dependent functions are presented and the performance and portability of the program is discussed.     

MgO films grown on yttria-stabilized zirconia by molecular beam epitaxy

MgO films were grown on (0 0 1) yttria-stabilized zirconia (YSZ) substrates by molecular beam epitaxy (MBE). The crystalline structures of these films were investigated using X-ray diffraction and transmission electron microscopy. Growth temperature was varied from 350 to 550 °C, with crystalline quality being improved at higher temperatures. The MgO films had a domain structure: (1 1 1)[1 1 2¯]_MgO(0 0 1)[1 0 0]_YSZ with four twin variants related by a 90° in-plane rotation about the [1 1 1]_MgO axis. The observed epitaxial orientation was compared to previous reports of films grown by pulsed laser deposition and sputtering and explained as resulting in the lowest interface energy.     

Luminescence properties of α-Al2O3 dosimetric crystals exposed to a high-current electron beam

The spectra of pulsed cathodoluminescence (PCL) and thermoluminescence (TL) in TLD-500 detectors, which were exposed to a strong beam from a pulsed electron accelerator, have been studied. Additional bands in the PCL spectrum and new peaks in the TL curves, which are due to impurity ions, have been revealed. Luminescence bands of F- and F⁺-centers cannot be used in the dosimetry of strong electron beams using TLD-500 detectors because of the saturation of dose dependence and the decrease in the TL yield. It is shown that high doses from these beams can be measured by recording TL in the luminescence band of impurity titanium ions.     

Anomalies in the Absorption and Reflection of a High-Power Ultrashort Laser Pulse by a Plasma with a Solid-State Density

The patterns of absorption and reflection of an ultrashort laser pulse by a plasma with a solid-state density, which are realized in the mode of the normal skin effect, are studied. It is shown that a decrease in low-power pulse duration shorter than the period corresponding to the fundamental frequency of radiation leads to an increase in the absorption coefficient. If the pulse power is so high as to provide electron heating during a time shorter than the reciprocal fundamental frequency, nonlinear suppression of absorption takes place and the spectrum of the reflected radiation contains odd harmonics of the fundamental frequency.     

Monte Carlo Simulation of Electron Transport and X-Ray Generation. II. Radiative Processes and Examples in Electron Probe Microanalysis

Theoretical models for Monte Carlo simulation of radiative processes, i.e. bremsstrahlung and characteristic x-ray emission, are presented. Possible strategies for simulating electron transport are briefly described. For mechanisms involving energy loss and angular deflections, difficulties for strict implementation of accurate numerical differential cross sections still remain due to the strong correlations between these variables. Practical solutions for the case of inelastic collisions and bremsstrahlung emission are described. Comparisons of simulation results with experimental data for several problems of interest in electron probe microanalysis are presented.     

短脉冲激光尾流场中的前向Raman散射

用212维粒子模拟分析了前向Raman散射对激光尾流场加速电子的影响.前向Raman散射使脉冲长度在传播方向上被拉长，脉冲后沿变陡，产生的尾流场相速度明显减小，而且超热电子的最大动能明显小于理论估计值.此外激光频率整体向低频移动.     

NEPCⅡ新电子枪热结构分析与测试

北京正负电子对撞机重大改造工程(BEPCⅡ)要求其直线注入器提供更高的能量和流强, 为此必须设计大电流和小发射度的新电子枪, 以提高正电子的产额. 利用ANSYS对BEPCⅡ新电子枪的温度场分布及结构的热变形进行了模拟分析. 对于电子枪复杂的内部结构形态以及能量转换方式, 分析了传导传热方式对温度场的影响. 在此基础上进行了温度场与结构变形的耦合分析, 利用EGUN对电子枪形变前后束流光学特性进行模拟分析, 并对模拟结果与试验 测试结果进行了分析比较.     

Probing proton halo of the exotic nucleus28S by elastic electron scattering

Elastic electron scattering on the exotic light nucleus²⁸S is investigated in the plane wave Born approximation. The variation of the squared form factors of²⁸S with momentum transfer is compared with that of³²S. It is found that the behavior of the form factors near the second minimum (with a moderate momentum transfer) is sensitive to the alteration of the charge density distribution of halo protons in²⁸S. This indicates that elastic electron scattering can be a good probe of the structure of proton-halo nuclei.     

A field-sensitivity analysis of the relativistic motion of a single electron submitted to a perpendicular magnetic field

Sensitivity of the velocity of a single electron, in the relativistic case, to a perpendicular magnetic field is evaluated by defining a parameter which becomes useful in a number of cases related to dynamical systems. In particular, the ultrarelativistic case is examined.     

The Rate Constant for Dissociative Electron Attachment to Ozone Revisited

The rate constant for dissociative electron attachment to ozone has been derived over the energy range from about 0 to 10 eV using recently measured and also corrected cross section data. The new rate constant data sets for two partial dissociative channels, as well as for the total dissociative electron attachment, are compared with previously reported values, and existing discrepancies are discussed.