Absorption and vibrational spectra of methylamine and its ions using quantum chemical methods

We present vibrational spectra of methylamine and its ions using the MP2 method and absorption spectra using time dependent density functional method. On the basis of these calculations electronic transitions of methylamine were successfully determined. We also have derived electron affinity and ionization potential for methylamine. The ionization potential 8.98 eV from this work is in excellent agreement with the experimental value of 9.04 eV. We found that like neutral methylamine, its cation also displays strong σ → σ∗ electronic transitions in the vacuum UV region whereas its anion shows strong electronic transitions in both the vacuum and far UV regions. The detection of methylamine in astronomical objects may benefit greatly from the accurate new data on its far-UV and near-IR lines.     

SLX 1746-311 in outburst

We report on RXTE-PCA observations of SLX 1746-311 during a 100 day outburst in April 2003. We present the 3–20 keV PCA energy spectra of the source and study evolution of spectral parameters. The burst spectrum is soft with T_in 1.3 keV at the beginning of the outburst. There is a clear evidence of a hard power law component throughout the outburst. There is also an indication of a broad iron line. The source exhibits three state transitions with considerable change in the hardness ratio at low count rates. We discuss the possible scenario under which this unusual behaviour can be explained.     

Nb-Si-Mo三元系合金相图

 Nb/Nb5Si3原位复合材料是一种有望替代镍基超合金用做飞机发动机叶片的新一代超高温结构材料。采用非自耗电弧熔炼技术制备出不同成分的Nb/Nb5Si3原位复合材料,利用X射线衍射仪、扫描电镜和能谱仪对Nb-Si-Mo三元系合金的相组成和微观组织进行研究。结果表明：Nb-Si-Mo三元系部分液相面投影图（<37.5 at% Si）含有4个初生相区,其立体相图中存在2个液固四相平衡反应和1个固态四相平衡反应。在2个液固四相平衡反应面之间存在一个三相共晶平衡棱柱,成分位于该棱柱内的合金会通过L→Nbss+β-Nb5Si3反应凝固生成Nbss/β-Nb5Si3片层共晶。     

GH4169DA磨削表面变质层软化机理

为了深入研究高温合金GH4169DA磨削表面变质层软化机理,分别采用光学显微镜、显微维氏硬度计和透射电子显微镜（TEM）分析了其微观组织、显微硬度和γ"相密度。试验结果表明：GH4169DA磨削表面及亚表面发生了明显软化和局部塑性变形。在试验参数范围内,软化深度约为30~100 μm,而变形层的深度只有约4 μm。从基体到磨削表面,γ"相密度由约2.27×10³个/μm²逐渐降低,至距磨削表面约2.2 μm以内γ"相完全消失。该变化规律与显微硬度变化规律一致,最大影响深度也基本相同。分析指出,GH4169DA磨削表面软化的根本原因是在磨削过程中热的作用下,主要强化相γ"密度降低,强化效果减弱。     

Radiative transitions in few-electron quasi-molecules

The review is aimed at the discussion of recent results on spectral profiles produced in collisions of few-electron atoms/ions. Calculations of spectral profiles produced by atom/ion collisions need some preliminary quantum-chemical information such as potential energy surfaces, dipole transition moments, etc. The main advantage of few-electron systems is that all input data can be obtained ab initio or analytically, thus the profiles calculated do not include any fit parameters. Two specific examples have been discussed. The first one deals with radiative transitions accompanying charge-exchange in collisions of one-electron ions with bare nuclei. The second example concerns radiative transitions produced by H⁻ + H collisions.     

The N4,5 - OO Auger and “N3” N4,5O2,3 Coster-Kronig spectra of xenon induced by electron impact

The N_4,5OO Auger electron spectrum in the kinetic energy region (14–37) eV has been measured with high resolution at electron incident energies between 71 eV and 2019 eV. The Auger and satellite lines are assigned by comparison with previous literature data. Several states which correspond to the resonant Auger transitions from the 4d_{3/2, 5/2} 6p states are observed. The PCI effects on the N₅-O_2,3O_2,3(¹S₀) Auger peak when the incident electron energy approaches to the N₅ edge (67.55 eV) is investigated and it is found that the dependence of the energy shift on the excess energy, E_exc, is well represented by the function E_exc^β with β = (-1.40 ± 0.05). The ^“N₃^” N_4,5O_2,3 Coster-Kronig spectrum is measured at various electron incident energies. The assignments of the features are made in comparison with a similar spectrum from synchrotron radiation measured by Kivimäki et al. [J. Electron Spectrosc. Relat. Phenom. 1999, 101–103, 43–47]. The Auger spectrum in the kinetic energy regions (68–78) eV and (90–138) eV is observed for the first time in an electron impact experiment and a comparison is made with the photoionization experiment by Hikosaka et al. [Phys. Rev. A 2007, 76, 032708].