Structural and thermodynamic properties of AlB2 compound

We employ a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter (HGH) scheme in the frame of DFT to calculate the equilibrium lattice parameters and the thermodynamic properties of AlB₂ compound with hcp structure. The obtained lattice parameters are in good agreement with the available experimental data and those calculated by others. Through the quasi-harmonic Debye model, obtained successfully are the dependences of the normalized lattice parameters a/a₀ and c/c₀ on pressure P, the normalized primitive cell volume V/V₀ on pressure P, the variation of the thermal expansion α with pressure P and temperature T, as well as the Debye temperature \Theta_D and the heat capacity C_V on pressure P and temperature T.     

大口径光束波前采样器(孔栅)的研制

应用平面波角谱理论，分析了采样器对光波场采样和分光的基本原理以及对空间采样频率的选择规则，描述了实际研制的大口径采样器的结构设计，并通过数值方法和高能激光大气传输实验研究了高能激光经采样器前／后的远场光斑分布关系。结果表明：利用光束波前采样器能高保真地实现对高能激光束的分光。     

晶格振动德拜模型的新思考

利用对德拜模式密度的修正入手，重新讨论了频率函数的热容量，得到了在高、低温极限与实验相符合的结论，该模型保留了德拜模型的优点，又对其不足之外进行了修正，同时给出了修正项的来源。     

Optical and Acoustical Frequencies in a Nonlinear Helicoidal Model of DNA Molecules

We compare optical and acoustical frequencies in the Peyrard-Bishop-Dauxois model, i.e. an extended Peyrard-Bishop model, of DNA molecules. We discuss how ratio of those frequencies depends on a value of the harmonic constant of the helicoidal spring K. Also, we suggest that the most favourable mode could be a resonance mode.     

分子射线中分子的频率分布

由麦克斯韦速率分布率导出分子射线中分子按频率分布 ,并给出了分子射线中分子按频率分布中的三个特征频率、分界动能和分界温度。     

兰姆（Lamb，Willis Eugene，1913-）美国物理学家（Physicist，America）

波谱学是通过射频或微波电磁场与物质的共振相互作用研究物质性质和结构的学科。频率范围为10^4-10^12 Hz，测量以频率为主。由于射频和微波的能量子比可见光小得多，因而测量精度高，常用来测定原子的磁矩和电四极矩。分子束是高真空中定向运动的分子流，彼此间相互作用很小，因而可以看作孤立的原子和分子的结合，是研究原子和分子性质的有力工具。     

相对论密度泛函法对CN^—在铜和银电极上振动频率的研究

对ＣＮ＾－在铜和银电极上的吸附性质进行了相对论密度泛函簇模型计算。结果表明，电场微扰方法可以描述ＣＮ＾－在铜和银电极上吸附的表面现象，电极势诱导的频率移动被理解为Ｓｔａｒｋ效应所引起。内振动模式Ｍ－ＣＮ和Ｃ－Ｎ的耦合对电位诱导的Ｃ－Ｎ振动频率变化的大小起重要作用，计算所得的由Ｓｔａｒｋ效应所引起Ｃ－Ｎ振动频率变化的斜率和实验结果相符。     

A—H键振动频率规律性的研究

国内外学者对氢化物A—H键振动频率V_(A-H)规律性的研究做了不少工作,取得一些成果。但对其普遍规律性尚缺乏深入系统的研究,大多公式涉及常数或参数较多,就用面窄,准确性差。文献就分子的整体作用探讨了A—H键振动频率的规律性,取得较为满意的结果,但其中又涉及到另一个需要求算的参数电负性,从而影响了用分子内在性质直接反应振动频率V_(A-H)的规律性。     

Self-Mixing Interference in Dual-Polarization Microchip Nd：YAG Lasers

The self-mixing interference in dual-polarization microchip Nd: YA G lasers is demonstrated. Under optical feedback, the orthogonal polarization components of the laser would undergo antiphase intensity modulations; at high feedback level, the polarization switching appears. We also observe that the laser self-mixing sensitivity changes periodically with the frequency difference of orthogonal polarizations. An initial theoretical model is put out and agrees well with the experiments. The results are useful for self-mixing sensitivity enhancement and offer a new way of absolute distance measurement.