NeNO分子光谱常数和非谐振力场的从头算研究

本文用从头算方法(B3LYP、MP2)计算了NeNO分子的光谱常数和非谐振力场.结果表明:在MP2方法下采用基组6-311G、6-311G(2df,2pd)计算的结果相对于实验和前人计算的结果优于B3LYP方法下采用基组cc-PVNZ(N=T,D,Q)计算的结果;重要的是这些计算结果对实验测量某些光谱数据(平衡转动常数、非谐常数等)有一定的预测作用.     

共面对称条件下Mg原子（e,2e)反应的三重微分截面计算

采用修正的扭曲波玻恩近似(DWBA)方法,本文计算了共面对称几何条件下电子碰撞Mg(3s2) 原子(e,2e)反应的三重微分截面. 理论方法通过引入Gamow因子来表示(e,2e)反应的后碰撞相互作用(PCI). 将计算结果与实验结果及标准DWBA计算结果进行了比较,发现PCI效应起着重要的作用.     

共面不对称条件下Ar原子(e,2e)反应的三重微分截面

采用修正的扭曲波玻恩近似(DWBA)方法,计算了共面、大能量损失和小动量转移这一特殊几何条件下电子碰撞Ar(3p6)(e,2e)反应的三重微分截面.理论方法对(e,2e)反应过程近程极化势进行了修正,并引入Gamow因子表示后碰撞相互作用(PCI).将计算结果与实验结果、标准DWBA计算结果及Gamow因子修正后的DWBA-G计算结果进行了比较,发现极化效应起着重要的作用.     

采用相对论多组态Dirac-Hartree-Fock方法对Mg原子同位素位移的理论研究

利用相对论多组态Dirac-Hartree-Fock方法研究了Mg原子基态到低激发态~1S_0-~1P_1和~1S_0-~3P_1两条跃迁谱线的同位素位移参数,包括正常质量位移系数,特殊质量位移系数和场位移因子,并计算了~(24)Mg,~(25)Mg和~(26)Mg三个稳定同位素的同位素位移.在计算中采用了一种受限制的双电子激发模式,并将同位素位移计算结果与已有的实验测量和理论计算结果进行了对比.结果表明,用本文的研究方法计算的Mg原子同位素位移与其他理论结果和实验测量值十分符合.本文的计算结果可以为~(20-40)Mg同位素位移测量实验提供必要的参考,所用的计算方法也可以应用到其他类Mg体系(核外电子数等于12的离子)等多电子离子的光谱结构计算和同位素位移的研究中.     

含三维复杂工程细缝金属腔的电磁屏蔽效能评估

复杂工程细缝为金属腔电磁屏蔽效能的评估带来了挑战。采用时域有限差分(FDTD)法结合环路(CP)法,在不改变原有粗网格剖分的基础上,实现了对三维复杂细缝结构金属腔电磁屏蔽效能的快速计算。提出复杂工程细缝的等效模型,提高了复杂细缝结构的CP编程和计算效率,计算结果与采用精细网格剖分的传统FDTD(fine-FDTD)计算结果吻合很好,验证了等效模型的有效性。在此基础上,分析了两种开有典型工程细缝金属腔在0~3 GHz内的电磁屏蔽效能,计算结果与fine-FDTD算法结果吻合很好,且计算效率大大提高。     

MgO和Cu的弹性常数随温度及压强变化关系的研究

从Anderson-Grüneisen参数定义式和热膨胀系数定义式出发,根据Tallon的普遍化理论,推导出了一个用于计算弹性常数的理论模型,用所得到的理论模型分别计算了MgO和Cu两种固体材料的弹性常数C_(11)、C_(12)和C_(44)随压强以及温度变化的理论数值,并将理论计算结果与Kumar模型计算结果以及相关实验数据进行了比较,对所得到的理论模型计算结果与Kumar模型计算结果之间的差异性进行了分析和探讨.研究结果表明:所推导的理论模型计算结果与实验数据更加符合,并且由于所用的推导方法不依赖于晶体的结构,因此该模型具有更好的合理性和普适性.     

单晶固体中正电子波函数的计算

介绍了正电子波函数计算的两种基本方法——有限差分方法(FDM)与平面波方法(PW).并以单晶Si为例,计算出正电子的波函数,从而计算出正电子在Si中的密度分布,由该正电子密度,进一步计算出了正电子在Si中的体寿命.计算结果与我们最近的实验结果(220 ps)符合得很好.最后,探讨了这两种方法各自的优缺点.     

利用Gel'fand基计算SU(3)Clebsch-Gordan系数的Mathematica软件

利用Gel'fand基和对相因子约定的分析,编写了一个计算SU(3)Clebsch-Gordan(C-G)系数的Mathematica软件。其计算结果与广义Condon-Shortley相因子约定下的结果一致。     

共面对称条件下Mg原子(e,2e)反应的三重微分截面的计算

采用修正的扭曲波玻恩近似(DWBA)方法,本文计算了共面对称几何条件下电子碰撞Mg(3s2) 原子(e,2e)反应的三重微分截面.理论方法通过引入Gamow因子来表示(e,2e)反应的后碰撞相互作用(PCI).将计算结果与实验结果及标准DWBA计算结果进行了比较,发现PCI效应起着重要的作用.     

电子入射双电离He原子的理论研究

完成了高入射能(E05.6keV),低敲出能(E1=E2=10eV)情形下,电子入射双电离He原子五重微分截面(FDCS)的理论计算.计算中使用了三个电子在He+2离子场中的四体末态波函数.计算结果与其他理论结果进行比较发现:所得结果与最新的(e,3e)实验数据较好地一致.     

Time of flight spectra in thermal desorption of helium

Time of flight spectra are calculated within the cascade model of phonon-mediated desorption for helium desorbing from graphite, sapphire and Nichrome. One and three-dimensional theories are compared. Deviations from Knudsen's cosine law are traced to dynamical effects. The spectra are — as a function of time — narrower than a Maxwellian distribution and their maxima are generally shifted to shorter times indicating that the desorbed molecules are hotter than the solid temperature. Relevant experiments are discussed. Experimental geometries are analysed.     

Radar cross sections of a random medium layer

Analytic expressions are derived for the normalized radar cross sections (NRCS) of a random medium layer. These are calculated from the first-order solutions for diffuse intensities which are based on a multiple-scattering wave theoretical analysis. The permittivity fluctuations are assumed to be small and to obey stationary Gaussian statistics. On studying the expressions for the NRCS, some of their characteristics are pointed out. Three different correlation functions are considered and expressions for the coherent propagation constants are provided. Numerical examples are used to verify theoretical results and highlight some interesting characteristics of NRCS.     

Parametric excitation of subharmonic oscillations

Subharmonic oscillations of order one-half for a single-degree-of-freedom system with quadratic, cubic, and quartic nonlinearities under parametric excitation are investigated. Two approximate methods (multiple scales and generalized synchronization) are used for comparison. The modulation equations (reduced equations) of the amplitudes and the phases are obtained. Steady-state solutions (periodic solutions) and their stability are determined. Numerical solutions are carried out, and graphical representations of the results are presented and discussed. The results obtained by the two methods are in excellent agreement.     

离子交换KTP晶体光波导及其各向异性波导性能研究

采用离子交换法制备了Ｒｂ：ＫＴＰ晶体光波导，在不同波长的耦合光下测量了ＴＥ和ＴＭ偏振波导模式的有效折射率，拟合了波导层折射率的余误差函数分布，证明了波导折射率增量的各向异性，给出了其色散关系；最后计算并讨论了Ｒｂ：ＫＴＰ波导的扩散特性。     

用于高速数据通信的梯度塑料光纤

概述了梯度塑料光纤的开发历史和现状。从应用于高速数据通信的角度 ,介绍了聚甲基丙烯酸甲酯(PMMA)、全氘化和全氟化梯度塑料光纤的损耗、带宽、稳定性和寿命。详细介绍了梯度塑料光纤的损耗光谱和损耗机制 ,介绍了制作梯度塑料光纤的界面凝胶聚合技术和两种扩散法 ,分析了梯度塑料光纤的制作方法同折射率剖面和带宽的关系 ,讨论了梯度塑料光纤的稳定性同掺杂物质的关系。同时介绍了高稳定性梯度塑料光纤的研究进展及今后的发展动向     

Effect of magnetic field on freely moving superconductors in the audio band

The results of studying the magnetomechanical effects in classical superconductors are analyzed. The energy losses are determined, and a number of macroscopic parameters are calculated using a developed model. The studies of superconductors by the method of rotation of a body suspended without contact are described. The results obtained are analyzed, and the values of some parameters are determined.     

Radar cross sections of a random medium layer

Abstract

Analytic expressions are derived for the normalized radar cross sections (NRCS) of a random medium layer. These are calculated from the first-order solutions for diffuse intensities which are based on a multiple-scattering wave theoretical analysis. The permittivity fluctuations are assumed to be small and to obey stationary Gaussian statistics. On studying the expressions for the NRCS, some of their characteristics are pointed out. Three different correlation functions are considered and expressions for the coherent propagation constants are provided. Numerical examples are used to verify theoretical results and highlight some interesting characteristics of NRCS.     

Predicting rogue waves

Observational data regarding anomalously high waves on the sea’s surface (freak or rogue waves) are reviewed. The objectives of the research are identified, and the difficulties encountered are noted. The main physical mechanisms employed in explaining rogue waves are listed, and possible approaches to predicting marine hazards are discussed. Principles for ongoing short-term forecasting of extreme waves (within tens of wave periods or wavelengths) are proposed. Some preliminary results are presented.     

Thermodynamics of electrons in the graphene bilayer

Some problems of the thermodynamics of electrons in a doped graphene bilayer are considered. Analytical expressions are derived for chemical potential and specific heat in the limiting cases of low and high temperatures. The Seebeck and Thomson coefficients are estimated. Landau levels are studied using a semi-classical approach. An expression for thermodynamic potential is obtained and the de Haas-van Alphen oscillations are studied. The oscillations of magnetic entropy and electron temperature in a magnetic field, i.e., the oscillating magnetocaloric effect, are investigated. For all parameters, the cases of graphene bilayer and monolayer are compared.