脉冲激光偏振方向对氮分子高次谐波的影响——基于含时密度泛函理论的模拟

采用含时密度泛函方法,结合赝势模型和电子交换相关作用的广义梯度近似,模拟了氮分子在超强飞秒激光脉冲作用下的高次谐波产生现象,并研究了激光脉冲偏振方向对氮分子高次谐波的影响.结果表明氮分子的高次谐波谱具有典型原子谐波谱的特征;谐波谱强度随着θ(激光偏振方向与分子轴向夹角)的增大而减小.这与J.Itatanl在Nature上报道的实验结果基本一致.     

Synthesis of an asymmetric fullerene dimer via sequential cycloadditions

A single isomer of a monofunctionalised C₇₀ fullerene is isolated and characterised using variable temperature NMR spectroscopy. Pendant methylene bromide groups allow for further cycloaddition reactions and a C₆₀-C₇₀ asymmetric fullerene dimer is thus prepared.     

A Hybrid Multiobjective Evolutionary Algorithm for Solving Vehicle Routing Problem with Time Windows

Vehicle routing problem with time windows (VRPTW) involves the routing of a set of vehicles with limited capacity from a central depot to a set of geographically dispersed customers with known demands and predefined time windows. The problem is solved by optimizing routes for the vehicles so as to meet all given constraints as well as to minimize the objectives of traveling distance and number of vehicles. This paper proposes a hybrid multiobjective evolutionary algorithm (HMOEA) that incorporates various heuristics for local exploitation in the evolutionary search and the concept of Pareto's optimality for solving multiobjective optimization in VRPTW. The proposed HMOEA is featured with specialized genetic operators and variable-length chromosome representation to accommodate the sequence-oriented optimization in VRPTW. Unlike existing VRPTW approaches that often aggregate multiple criteria and constraints into a compromise function, the proposed HMOEA optimizes all routing constraints and objectives simultaneously, which improves the routing solutions in many aspects, such as lower routing cost, wider scattering area and better convergence trace. The HMOEA is applied to solve the benchmark Solomon's 56 VRPTW 100-customer instances, which yields 20 routing solutions better than or competitive as compared to the best solutions published in literature.     

Trace element concentrations from São Francisco River - PR analyzed with PIXE technique

Summary Kulcsszavak (angolul, ha nem azonos az elozovel)     

THE FIRST EXPERIMENT OF A THz GYROTRON WITH A PULSE MAGNET

A THz gyrotron with a pulse magnet has been designed, constructed and operated in FIR FU. It is developed as one of high frequency gyrotrons included in Gyrotron FU Series. The gyrotron has already achieved the first experimental result for high frequency operations whose radiation frequency exceeds 1 THz. In this paper, the design detail and the operation test results for sub-terahertz to terahertz range are described. The second harmonic operation is confirmed experimentally at the expected frequency of 1.005 THz due to TE_6,11 cavity mode at the magnetic field intensity of 19.0 T.     

Study of the structural and optical properties of GaN/AlN quantum dot superlattices

We study GaN/AlN Quantum Dot (QD) superlattices utilizing the STREL environment which allows the building of atomistic models, relaxation of the structures, the calculation of the electronic states and optical transitions and the visualization of the results. The forces are calculated using an appropriate Keating or Stillinger–Weber interatomic potential model and the electronic states and optical transitions using a tight-binding formulation which is economical and produces realistic electronic properties. The relaxed structure has strains mainly in the GaN region which are compressive and small tensile strains in the AlN region, mainly below the QD. In the calculation of the electronic states and of the optical transitions the strains are included realistically at the atomistic level. The study of the wavefunctions close to the fundamental gap show how these strains influence the form and spatial extent of the wavefunction. Very close to the fundamental gap the valence and some conduction states are confined in the QD and have considerable oscillator strength.     

Spin tunneling properties in mesoscopic magnets: effects of a magnetic field

The tunneling of a giant spin at excited levels is studied theoretically in mesoscopic magnets with a magnetic field at an arbitrary angle in the easy plane. Different structures of the tunneling barriers can be generated by the magnetocrystalline anisotropy, the magnitude and the orientation of the field. By calculating the nonvacuum instanton solution explicitly, we obtain the tunnel splittings and the tunneling rates for different angle ranges of the external magnetic field ( θ _H = π/2 and π/2 < θ _H < π). The temperature dependences of the decay rates are clearly shown for each case. It is found that the tunneling rate and the crossover temperature depend on the orientation of the external magnetic field. This feature can be tested with the use of existing experimental techniques. Received 12 March 2001 and Received in final form 18 October 2001     

Ion structure determinations and ion—molecule reactions by double quadrupole mass spectrometry

The QQ mass spectrometer is shown to be applicable to ion structure determination via collision-induced dissociations of mass-selected ions. The instrument can be scanned so as to record the products of dissociation as well as those of ion—molecule association reactions. The dissociations correspond to those observed at high kinetic energy in mass-analyzed ion kinetic energy spectrometers and the association reactions show parallels with reactions seen in ion cyclotron resonance spectroscopy and in high-pressure mass spectrometry     

Comments on the bremsstrahlung cross section formula using exact electron-distorted wave functions

Rozics and Johnson's formula is examined and its inconsistency is pointed out.     

Study of the spectrum of cherenkov light

It is pessible to study experimentally Cherenkov light spectra in a liquid scintillation spectrometer with colour filters. Cherenkov light spectra of⁶⁰Co,¹⁹⁸Au,¹¹⁵Cd,¹⁴³Ce,¹⁴⁰La,³²P,⁸⁶Rb,⁷⁶As,⁴²K and an external standard were studied in a Packard 3375 type liquid scintillation spectrometer, using 11 various Kodak Wratten filters. The absorption maxima of the filters ware in the 410–796 nm interval.