Theoretical study on collision dynamics of H+ + H2O at low energies

Scattering dynamics of a water molecule in collision with proton is studied based on a time-dependent density functional theory and coupled with the molecular dynamics method, in which the electrons are described by quantum mechanics and the nuclei are described by classical mechanics. Four different incident directions at 46 eV are chosen in order to investigate the orientations effect, and the energy-dependent effect in low energy region is explored under impact energies 27, 36 and 46 eV. Reaction channels, scattering angles and energy loss of protons are calculated. The differences between those characteristics are unobvious in large impact parameters, which are irrespective of the incident orientations due to weak projectile-target interaction. In small impact parameters, the results strongly depend on the collision energy and orientation.     

非共面双对称几何条件下电子离化He的（e,2e）反应

运用修正后的BBK理论计算了入射能为27.6 eV,29.6 eV和34.6 eV,非共面双对称几何条件下,电子入射离化氦原子的三重微分截面,计算结果与实验结果进行比较发现两者符合的较好,验证了低入射能时修正后的BBK模型同样适用于非共面双对称条件下的(e,2e)过程,从碰撞的微观机理上分析了影响出射电子角分布的原因.     

The second Born approximation in electron-helium scattering in a Nd-YAG laser field

The dynamics of laser-assisted elastic collisions in helium is studied using the second-order Born approximation. Detailed calculations of the scattering amplitudes are performed by using the Sturmian basis expansion. Differential cross sections for elastic scattering with the net absorption/emission of up to two photons are calculated for collision energies of 5 eV, 10 eV, and 20 eV. We discuss the influence of the low-energy electrons on the differential cross section (DCS) as a function of the scattering angle for selected choices of the laser frequency and the number of photons exchanged between the external field and electron-helium system.     

质子与乙烯分子碰撞的密度泛函理论研究(英文)

采用含时局域密度近似与分子动力学相结合的方法研究了不同入射速度的质子与乙烯分子碰撞的动力学。计算了质子的能量损失及碰撞后乙烯分子的电子和离子的运动状态, 研究了质子的入射方向及入射动能对整个系统的碰撞动力学的影响。计算结果表明, 当入射质子的动能较小（E_k0<250 eV）时, 在相同的入射速度下, 当质子垂直于分子平面入射时, 系统的电离最大, 质子俘获的电子多; 当质子的入射动能E_k0>250 eV时, 质子的能量损失与入射方向有密切的关系。In the framework of the time dependent local density approximation (TDLDA),which applied to valence electrons, coupled non adiabatically to molecular dynamics of ions, the microscopic mechanisms of collisions between energetic protons and ethylene are studied. Not only the amount of energy lost of the projectile, but also the electron and vibration excitations of the target are identified. In addition, the influences of the collision orientation on the energy loss of the proton and excitation dynamics of ethylene are discussed. It is found that the ionization is enhanced and more electrons are captured by the proton when the proton with the impact energy less than 250 eV moves perpendicularly to the molecular plane. A strong relation between the proton energy lost and the impact orientation is obtained when the impact energy is larger than 250 eV.     

电子与锂和铍原子碰撞角分布的理论研究

用模型势方法研究电子与锂和铍原子弹性散射，计算了能量从０．１到１．０ｅＶ散射电子的角分布（微分散射截面），从理论计算中，看到在０．１－１．０ｅＶ能区内，随入射电子能量增加，电子被Ｌｉ和Ｂｅ原子散射的微分截面有相似变化，即小角微分散射截面越来越大     

Angular and energy distribution of electrons produced by 200–500 keV protons in gases

The cross beam method was used to measure double differential ionization cross sections for electron production by 200–500 keV protons incident on a molecular beam. The ejected secondary electrons were detected by an electron multiplier and an electrostatic 90 °-spectrometer which was movable in the scattering chamber from 18 °–155 ° with respect to the incident proton direction. After the elimination of disturbing electric and magnetic fields, electrons were measured at energies down to 1 eV. The absorption of the very slow electrons along their path through the spectrometer could be minimized by using a relatively low gas pressure in the scattering chamber of a few 10^?5 Torr. The efficiency of the electron detector was determined with an electron source whose emission rate per solid angle was known. Absolute cross sections and their angular dependence were obtained by measuring the slow electrons—ejected with a relatively high rate—without the molecular beam; these data being used to normalize the electron spectra acquired with the molecular beam. Ionization cross sections with 300 keV protons incident on helium are discussed and except for the very slow electrons, a good agreement is found with results of Ruddet al.     

Inelastic effect in low energy ion-surface collisions: He+Au,Ag

Energy distributions of He⁺ ions scattered by Au and Ag surfaces are measured by an ISS system with high energy resolution, at a scattering angle of 90° and at incident ion energies ranging from 277 to 977 eV. It is found that the observed peak energies deviate toward the low energy side by several electron-volts with respect to the calculated elastic single collision energies. Both the deviation Q' and the inelastic loss energy Q are plotted as a function of incident ion energy for the Au surface.     

Elastic scattering of electrons from tetrahydrofuran molecule

Absolute differential cross-sections (DCSs) for elastic scattering of electrons from the DNA backbone sugarlike analogue tetrahydrofuran (THF) molecule were determined using a crossed beam measurements for incident energies from 20 eV to 300 eV and scattering angles from 10^o to 110^o. Using the relative-flow technique, elastic DCSs for THF relative to nitrogen have been obtained at incident energies of 20, 30, 40, 50 and 60 eV. In the energy region above 30 eV, the DCSs were measured independently as a function of both incident electron energy and scattering angle. Therefore, this set of relative DCSs has been calibrated to the absolute scale via normalization to a single point in the overlapping region. Additionally, both vibrational and electronic energy loss spectra for THF are presented and influence of energy resolution to the obtained DCSs is discussed.     

电子碰撞Ne和类Ne离子电离的三重微分截面理论研究

采用扭曲波玻恩近似理论计算了共面对称几何条件下类Ne离子2p轨道电子在不同出射电子能量下的(e,2e)反应三重微分截面,出射电子能量分别为3,5,7.5,10,15,20,30和50 eV.计算结果表明,随着出射电子能量的增大和核电荷数Z的增大,三重微分截面的幅度逐渐减小.除Ne以外,对其他离子,在出射电子角度为150?附近出现了一个新的结构,对比不同出射电子能量时的(e,2e)反应三重微分截面,发现这个结构的幅度随着出射电子的能量先增大后减小,文中用一种两次两体碰撞过程对这些现象进行了解释.     

11 MeV能损型质子照相空间分辨能力模拟

透射质子的能损和散射角是质子照相成像模糊的主要来源。基于Zumbro聚焦成像磁透镜的质子照相技术,可基本消除散射角引起的成像模糊,实现几十μm的空间分辨,但无法对能损信息进行优化是其空间分辨能力难以进一步提升的主要原因。为利用透射质子的能损信息,进一步提高质子照相的空间分辨能力,提出了一种新型的成像磁透镜,称之为能损型聚焦成像磁透镜。基于11 MeV低能能损型质子照相的实验束线和Geant4模拟软件,建立全过程照相模型,研究11 MeV能损型成像束线的空间分辨能力。模拟研究表明:对于10 μm厚的Al箔,考虑点扩散函数等测量系统成像模糊的影响,11 MeV能损型成像束线可实现约30 μm的空间分辨。与等大型Zumbro磁透镜相比,空间分辨能力得到显著提升。     

混合模拟方法模拟电子在固体表面的背散射

将电子输运的直接模拟方法和压缩历史方法相结合,建立能量为50 eV~1 GeV范围的电子在介质中输运的混合模拟蒙特卡罗方法.通过调整散射角参数和损失能量参数控制单次碰撞发生的次数,输运过程中单次碰撞采用直接模拟,在两次直接碰撞之间使用压缩历史方法模拟发生的多次小碰撞过程.利用该方法模拟电子在固体表面的背散射过程,探讨不同计算参数对计算效率和结果的影响,计算不同能量电子在固体表面的背散射系数和出射电子能量分布,计算结果与实验数据符合较好.     

一种考虑几何屏蔽效应的计算“电子-分子”散射总截面的可加性规则修正方法

在考虑分子内原子间的几何屏蔽效应随电子入射能量变化的基础上, 提出了一种能够在中、高能区准确计算“电子-分子”散射总截面的可加性规则修正方法. 利用这一修正后的可加性规则并使用“电子-C, H, O, N原子”散射总截面的实验数据, 在50—5000 eV内计算了电子被NO, N₂O, NO₂和C₂H₆分子散射的总截面, 且将计算结果与实验结果及其他理论结果进行了比较. 结果表明, 利用这一方法修正过的可加性规则进行计 关键词： 电子散射 可加性规则 总截面 几何屏蔽效应     

Cross sections of electron capture and electron capture ionization versus the impact parameter in collisions of a proton with multielectron atoms

The absolute differential cross sections of scattering of hydrogen atoms resulting from an electron capture and an electron capture ionization are measured for collisions of 4.5- and 11-keV protons with argon and xenon atoms. The range of scattering angles is 0°–2°. From the scattering differential cross section found experimentally, the probabilities of single-electron capture and electron capture ionization as a function of the impact parameter are calculated. The dependences of the incident particle scattering angle on the impact parameter (deviation function) for interactions with Ar and Xe atoms are calculated in terms of classical mechanics using the Moliére—Yukawa potential to describe the interaction of atomic particles. Analysis is given to the probabilities of electron capture and electron capture ionization versus the impact parameter and to the distribution of the electron density on different electron shells in a target atom versus a distance to the core. It is concluded that only electrons from the outer shell of the target atom are involved in the process of electron capture ionization. The cross section of electron capture ionization is calculated in the proton energy range 5–20 keV.     

Separation of angular and energy relaxations of nonequilibrium electrons in a solid

We demonstrate that the collision integral of the kinetic equation for the interaction of hot electrons with phonons can be split into substantially different parts that correspond to elastic and inelastic collisions. In particular, this applies to electrons with energies of about 1 eV that propagate in semiconductors. The difference in the characteristic energy and momentum relaxation times makes it possible to separate the angular and energy relaxation processes. If the differential cross section of elastic scattering depends, not on the scattering angle, but on the directions of incident and scattered electrons (which is observed, e.g., for the interaction of an electron with piezoelectric lattice vibrations in A^IIIB^V compounds), the Laplacian in the equation that describes the spatial and energy distributions of electrons can be replaced by an elliptical operator; i.e., the electron diffusion turns out to be anisotropic.     

Allowance for multiple scattering in proton energy spectra

The energy spectra of 6.3 MeV energy protons backscattered by a thick Au target are studied experimentally for a broad range of varying backscattering angle. It has been shown in what manner the deviations of the forms of the energy spectra from the spectral forms calculated in the single-scattering approximation increase with decreasing scattering angle. It has been shown also that at not too high proton energy loss in the target the deviations may be described by a correction function which takes into account the contribution to the energy spectra of multiple particle scattering in the target.     

Elastic scattering of electrons by europium and ytterbium atoms

The method of relativistic optical potential is applied to studying elastic scattering of electrons by europium and ytterbium atoms in a wide range of collision energies up to 2 keV. The angular dependences of the scattering differential cross sections and the energy dependences of the scattering integral (total, elastic, momentum transfer, and viscosity) cross sections are calculated in both spin-polarized and spin-unpolarized approximations. It is shown that the spin-polarized approximation should be used to calculate the scattering cross sections at energies below 10 eV for a europium atom. The low-energy scattering of an electron by a europium atom is characterized by P-, D-, and F-wave shape resonances. For an ytterbium atom, the calculated cross sections are in good agreement with available experimental data and with those obtained by calculation in terms of the relativistic convergent close-coupling method.     

300 eV—1GeV质子在硅中非电离能损的计算

非电离能损(NIEL)引起的位移损伤是导致空间辐射环境中新型光电器件失效的主要因素.引起质子在硅中NIEL的作用机理有库仑相互作用和核相互作用,质子能量范围从位移损伤阈能到1 GeV.当质子能量位于低能区时,库仑相互作用占主导地位,采用解析方法和TRIM程序计算NIEL;当质子能量位于高能区时,NIEL主要来自质子与靶原子核的弹性和非弹性相互作用,使用MCNPX/HTAPE3X进行模拟仿真计算由核反应引起的NIEL.实现了能量范围为300 eV—1 GeV的质子入射硅时NIEL的计算.计算结果表明,MCNPX/HTAPE3X可用于计算高能质子在材料中产生的反冲核所引起的NIEL,结合解析方法和TRIM程序可计算得到由于库仑相互作用引起的NIEL.     

质子照相中基于能量损失的密度重建

提出了一种质子能量在中高能时利用能量损失进行密度重建的方法,并利用Bethe-Bolch公式给出了利用能量损失进行密度重建的方程及条件.针对1.6 GeV的质子能量,通过定量计算常见材料的阻止本领,得出质子能量在1.45–1.6 GeV范围内时,材料的阻止本领的变化率小于1%,可近似为常数.最后,通过理论计算和Geant 4模拟,得出质子能量在1.6 GeV时,可以对面密度为113 g/cm²的缩比法国实验客体进行密度重建.     

Energy loss of light ions in metals

On the basis of dielectric formalism the analytical expressions for the calculation of close collision and plasmon excitation contributions to the total energy loss of light ions (protons, α-particles) on valence electrons of metals have been obtained. The importance of accounting for the relation between the mentioned contributions while interpreting the results on ion dechannelling due to their multiple scattering on the crystal valence electrons has been pointed out. The ratio of the total energy loss for the best channelled light ions to the energy loss in the non- oriented target in the energy range of E ≈ 100 keV-500 MeV has been calculated.     

电子散射的钠原子受激态取向参数研究

原子碰撞中的取向(orientation)参数的研究为原子碰撞动力学、原子受激态结构提供了丰富的信息.散射靶原子集合可用态多极(state multipole)描述，用它可以表征受激态原子的取向参数.通过取向参数与受激原子态退激的偶极辐射光子的Stokes参数之间的关系，可以进行实验与理论的比较.本文主要研究钠原子受电子散射S→P跃迁中取向参数，根据散射理论的扭曲波近似展开计算得到的散射振幅，带入态多极，然后计算钠原子3P态取向与散射角的关系及不同入射能下受激态取向参数变化特点，并与电子-光子符合散射实验所测数据进行比较.考虑到符合散射实验的测量困难，在误差范围内，理论分析与实验结果符合得比较好. 关键词： 取向参数 态多极 Stokes参数 电子-光子符合测量