Second-order Born calculation of coplanar symmetric(e, 2e) process on Mg

The second-order distorted wave Born aPl6roximation （DWBA） method is employed to investigate the triple differen- tial cross sections （TDCS） of coplanar doubly symmetric （e, 2e） collisions for magnesium at excess energies of 6 eV-20 eV. Comparing with the standard first-order DWBA calculations, the inclusion of the second-order Born term in the scattering amplitude improves the degree of agreement with experiments, especially for backward scattering region of TDCS. This indicates that the present second-order Born term is capable to give a reasonable correction to DWBA model in studying coplanar symmetric （e, 2e） problems of two-valence-electron target in low energy range.     

A generalized Padé approximation method of solving homoclinic and heteroclinic orbits of strongly nonlinear autonomous oscillators

An intrinsic extension of Pad′e approximation method, called the generalized Pad′e approximation method, is proposed based on the classic Pad′e approximation theorem. According to the proposed method, the numerator and denominator of Pad′e approximant are extended from polynomial functions to a series composed of any kind of function, which means that the generalized Pad′e approximant is not limited to some forms, but can be constructed in different forms in solving different problems. Thus, many existing modifications of Pad′e approximation method can be considered to be the special cases of the proposed method. For solving homoclinic and heteroclinic orbits of strongly nonlinear autonomous oscillators, two novel kinds of generalized Pad′e approximants are constructed. Then, some examples are given to show the validity of the present method. To show the accuracy of the method, all solutions obtained in this paper are compared with those of the Runge–Kutta method.     

Collision-induced fragmentation and neutralization of methanol cluster cations

This contribution addresses the inelastic interaction of positively charged molecular cluster ions with a solid surface at kinetic energies up to 30 eV/molecule. We report experimental results on the scattering of mass-selected, protonated methanol cluster cations (CH₃OH)_nH⁺, n = 4-32, off a diamond-coated silicon surface. In particular we provide fragment size distributions of methanol cluster ions following their impact on the target, as well as surface-induced neutralization probabilities of methanol cluster ions as a function of the size and the kinetic energy of the parent clusters. Received 30 November 2000     

Entanglement and the factorization-approximation

For a bi-partite quantum system defined in a finite dimensional Hilbert-space we investigate in what sense entanglement change and interactions imply each other. For this purpose we introduce an entanglement-operator, which is then shown to represent a non-conserved property for any bi-partite system and any type of interaction. This general relation does not exclude the existence of special initial product states, for which the entanglement remains small over some period of time, despite interactions. For this case we derive an approximation to the full Schr?dinger-equation, which allows the treatment of the composite systems in terms of product states. The induced error is estimated. In this factorization-approximation one subsystem appears as an effective potential for the other. A pertinent example is the Jaynes-Cummings model, which then reduces to the semi-classical rotating wave approximation. Received 8 June 2001     

Kinematically complete final state investigations of molecular photodissociation: two- and three-body decay of laser-prepared H 3 3 s ? 2 A 1 ''

We have performed kinematically complete investigations of molecular photodissociation of triatomic hydrogen in a fast beam translational spectrometer recently built in Freiburg. The apparatus allows us to investigate laser-induced dissociation of neutral molecules into two, three, or more neutral products. The fragments are detected in coincidence and their vectorial momenta in the center-of-mass frame are determined. We demonstrate the potential of the method at the fragmentation of the 3 s ² A ₁ ^′ ( N = 1, K = 0) state of triatomic hydrogen. In this state, three-body decay into ground state hydrogen atoms H+H+H, two-body predissociation into H+H ₂ (v , J), and photoemission to the H ₃ ground state surface with subsequent two-body decay are competing channels. In the case of two-body predissociation, we determine the rovibrational population in the H ₂ (v , J) fragment. The vibrational distribution of H ₂ is compared with approximate theoretical predictions. For three-body decay, we measure the six-fold differential photodissociation cross-section. To determine accurate final state distributions, the geometric collection efficiency of the apparatus is calculated by a Monte Carlo simulation, and the raw data are corrected for apparatus efficiency. The final state momentum distribution shows pronounced correlation patterns which are characteristic for the dissociation mechanism. For a three-body decay process with a discrete kinetic energy release we have developed a novel data reduction procedure based on the detection of two fragments. The final state distribution determined by this independent method agrees extremely well with that observed in the triple-coincidence data. In addition, this method allows us to fully explore the phase space of the final state and to determine the branching ratios between the two- and three-body decay processes. Received 29 March 2001     

基于4，8-二氢二呋咱[3，}4-b，e]吡嗪高能材料的设计与筛选

为了寻找高能量密度的材料,本文设计了一系列基于4,8-二氢二呋咱[3,4-b,e]吡嗪的含能材料. 利用密度泛函理论研究了它们结构与性质之间的关系. 结果表明,这些设计化合物的性质受到含能基团和杂环取代基的影响. -N₃含能基团是提高设计化合物生成热的最有效取代官能团,而四唑环/-C(NO₂)₃基团对炸药的爆轰性能有较大贡献. 键解离能分析表明,引入-NHNH₂,-NHNO₂,-CH(NO₂)₃和-C(NO₂)₃基团会显著降低键解离能. 由于化合物A8,B8,C8,D8,E8和F8具有良好的爆轰性能和热稳定性,最终被筛选为潜在的高能密度材料. 此外,还计算了这些筛选化合物的电子结构.     

The affine Plateau problem

In this paper, we study a second order variational problem for locally convex hypersurfaces, which is the affine invariant analogue of the classical Plateau problem for minimal surfaces. We prove existence, regularity and uniqueness results for hypersurfaces maximizing affine area under appropriate boundary conditions.

     

Electrical properties of neodymium doped CaBi4Ti4O15 ceramics

Neodymium doped bismuth layer structure ferroelectrics (BLSFs) ceramics CaBi_4−<em>xem>Nd_<em>xem>Ti₄O₁₅ (<em>xem>=0, 0.25, 0.50, 0.75) were prepared by solid-state reaction method. X-ray diffraction pattern showed that single phase was formed when <em>xem>=0-0.75. The refined lattice parameters showed that <em>aem> (<em>bem>) axes decrease at <em>xem>=0.25 and increase with more Nd³⁺ dopant. The effects of Nd³⁺ doping on the dielectric and ferroelectric properties of CaBi₄Ti₄O₁₅ ceramics are studied. Nd³⁺ dopant decreased the Curie temperature linearly, and the dielectric loss, tan <em>δem>, as well. The remnant polarization of Nd³⁺ doped CaBi₄Ti₄O₁₅ ceramics was increased by 80% at <em>xem>=0.25, while more Nd³⁺ dopant decreased the remnant polarization. CaBi_3.75Nd_0.25Ti₄O₁₅ ceramics had the largest piezoelectric constant <em>dem>₃₃. The structure and properties of CaBi_4−<em>xem>Nd_<em>xem>Ti₄O₁₅ ceramics showed that Nd³⁺ may occupy different crystal locations when Nd³⁺ content <em>xem> is less than 0.25 and more than 0.50.