尘埃表面化学理论模拟研究进展

近年来天体化学在解释星际分子的形成过程中起重要作用的尘埃表面化学取得了长足的发展,本文综述了在天体化学模拟中用到的各种数值计算方法,以及尘埃冰幔的化学模型. 同时也介绍在实验室天体化学方面获得的结果,及其对尘埃表面化学所起到的促进作用.     

星际氧气分子的气相-尘埃模型研究（英文）

本文采用气相-尘埃模型Nautilus研究了星际氧气的演化过程,使用了两种典型初始丰度值下的恒温模型和变化物理条件下的加热模型进行模拟计算.结果表明,在冷致密云的条件下,CO、O_2和H_2O达到峰值的时间依赖于氢核密度的多少,其随氢核密度的增大而减小.在加热模型中,在温度升高后的10~5年后,氧气的丰度值与观测结果符合较好.在温度大于30 K后,氧气的稳态丰度值将不再随氢核密度而变化,且大于此温度可以阻止氧气大量的沉降到尘埃表面.此外,无论在恒温模型还是在加热模型中,低氢核密度更有利于O_2的生成.     

星际分子及其谱线

介绍了星际分子及其谱线的研究历史和现状,分析了如何从分子谱线探索恒星形成区的物理化学性质,简述了探测星际分子谱线的大型射电望远镜.     

世纪之交的天体物理与原子分子物理

20世纪的后叶 ,原子与分子的射电谱线揭示了光学不可见的冷宇宙 ,银河系最大天体 -巨分子云和恒星形成过程的一个普遍存在的重要的相 -双极外流。近十年发射的红外天文卫星ISO,通过对原子与分子的红外谱线的观测 ,在研究动能温度数百度以上的富碳、富氧演化星包层 ,行星状星云、年轻星和恒星形成区复合体的物理与动力学性质方面取得重要的结果 ,并向原子与分子物理学家提出许多问题和要求。原子与分子物理与天体物理在急剧的发展中将互相激发 ,碰撞出更绚丽的火花。     

一个了解宇宙的新窗口——分子天体物理学进展介绍

 50年以前,人们对太阳系以外的化合物几乎一无所知.那时的天体化学主要是通过中性或电离的原子光谱来了解宇宙中元素的成分、比例及分布并根据核物理知识研究元素的演化.著名的天文学家爱丁顿在1937年曾提出星云中相当大部分的物质可能是以分子形式存在.但同时他说:“我在写到分子时是很胆怯的,因为我还没有摆脱‘原子是物理而分子是化学’这种传统.”     

星际分子HCN超精细碰撞跃迁的R矩阵传播子方法计算

文中用Ｒ矩阵传播子方法计算了Ｈｅ－ＨＣＮ超精细碰撞跃迁截面和速率常数，给出了新的理论计算结果，并讨论了势函数长程部分对结果的影响     

手性分子介质非线性光学研究新进展

文章介绍了近年来手性分子介质及材料的非线性光学性质的研究状况，综述了手性分子非线性微观模型的使用情况，给出了一些典型的二阶、三阶非线性光学实验结果，用这些微观模型可以正确地分析这些结果．同时指出了未来研究的趋势，及研究成果可能应用的领域．     

分子线的伏-安特性研究

利用密度泛函理论计算了共扼分子2-氨基-5-硝基-1, 4-二乙炔基-4′-苯硫醇基苯的电子结构, 并利用弹性散射格林函数方法研究了该分子与金表面形成的分子线的伏-安特性. 该工作将有利于未来分子电子学器件的设计.     

星际H2O与OH分子脉泽的统计与激发机制探讨

报告了大质量恒星形成区的星际分子脉泽巡天观测结果.所观测到的H2O与OH分子脉泽可分为三类,它们的数量近似相等,寿命亦近似相等～105年,但HⅡ区普遍短缺.提出了一种新的辐射机制模型,它克服了旧辐射模型的缺点,可以解释星际H2O与OH脉泽的成因,以及作者的观测统计结果.     

原子分子物理—研究宇宙物质的基础科学

艹勾清泉教授所从事、发展和传授的原子、分子结构理论在天体物理、天体化学、固体物理、材料科学以及极端条件物理的发展中起到基础理论的重要作用。他的研究群体活跃在各个相关的基础与应用领域里     

Al2O3-Y2O3-ZrO2三相复合陶瓷的介电谱研究

采用传统的固相反应法,在1400–1500 ℃下烧结,制备得到Al₂O₃-Y₂O₃-ZrO₂三相复合陶瓷.样品的结构、形貌和电性能分别用X射线衍射(XRD)、扫描电子显微镜(SEM)及介电谱表征.XRD表明此三相复合体系无其他杂相,加入Y₂O₃及ZrO₂后使得Al₂O₃成瓷温度降低;SEM表明此体系晶粒直径为200–500 nm,并且样品随烧结温度的升高而变得更加致密,晶界更加清晰;介电损耗谱中出现峰值弛豫现象,根据Cole-Cole复阻抗谱得出其为非德拜弛豫. 关键词： 2O₃-Y₂O₃-ZrO₂三相陶瓷')" href="#">Al₂O₃-Y₂O₃-ZrO₂三相陶瓷 介电弛豫 阻抗谱 热导率     

Submillimeter-wave spectroscopy of HN2 and DN2 in the excited vibrational states

The pure rotational transitions of HN₂⁺ and DN₂⁺ in the first excited vibrational states for all the fundamental vibrational modes have been observed in the range of 300-750 GHz. The molecular constants determined are much more accurate compared with those obtained from the infrared spectroscopy. The equilibrium rotational constants, B_e = 46832.45 (71) MHz for HN₂⁺ and B_e = 38708.38 (58) MHz for DN₂⁺, have been determined by correcting for the higher-order vibration-rotation interaction effects, γ_ij, obtained by an infrared investigation. The equilibrium bond lengths are derived from these equilibrium rotational constants: r_e(H-N) = 1.03460 (14) Å and r_e (N-N) = 1.092698 (26) Å.     

Wing profile measurements of the Na-doublet lines in C2H2/O2/N2, H2/O2/N2 and H2/O2/Ar frames at 1 atm

Fluorescence-excitation (wing) profiles of the Na-D doublet lines were measured over a wavelength range extending from 0.3 to 200 Å from the line center for the red D₁ and blue D₂ wings and from 0.3 to 3 Å for the red D₂ and the blue D₁ wings, respectively. The line profiles were determined with the aid of a tunable CW dye-laser as a background source by measuring the total fluorescence intensity observed on detuning the laser wavelength. The flames were premixed, laminar, shielded flames at 1 atm, with temperatures ranging from 1860 to 2270 K; N₂ and Ar served as diluent gases. The line core and near-wing profiles (i.e. the region covering 0.3<Δλ<7 Å for the outer wings and 0.3<Δλ<3 Å for the inner ones) in all of the flames studied appeared to have the same frequency dependence, regardless of the nature and concentrations of the gases used. The blue D₂-line profile followed an unexpected (-2.2) law, while the other three profiles obeyed the theoretically expected (-2) law (the dispersion profile function). The line profile in the Δλ range between the impact and quasistatic regions was found to depend on the main perturbers involved. We found that the far blue D₂- and red D₁-wings in the Ar-diluted H₂/O₂ flame obeyed the (-$\text{5}\text{4}$) and (-$\text{3}\text{2}$) laws, respectively, as predicted by the quasi-static theory for the Lennard-Jones interaction. For the N₂-diluted C₂H₂/O₂ and H₂/O₂ flames, we did not find these wing dependences in the Δλ range investigated.     

Combustion properties of H2/N2/O2/steam mixtures

The present work reports new experimental and numerical results of the combustion properties of hydrogen based mixtures diluted by nitrogen and steam. Spherical expanding flames have been studied in a spherical bomb over a large domain of equivalence ratios, initial temperatures and dilutions at an initial pressure of 100 kPa (T_ini = 296, 363, 413 K; N₂/O₂ = 3.76, 5.67, 9; %Steam = 0, 20, 30). From these experiments, the laminar flame speed $S_L^0$, the Markstein length L’, the activation energy Ea and the Zel'dovich β number have been determined. These parameters were also simulated using COSILAB^® in order to verify the validity of the Mével et al. [1] detailed kinetic mechanism. Other parameters as the laminar flame thickness δ and the effective Lewis number Le_eff were also simulated. These new results aim at providing an extended database that will be very useful in the hydrogen combustion hazard assessment for nuclear reactor power plant new design.     

Adsorption of Cs and O2 on MoS2

Adsorption of Cs on basal planes of MoS₂ has been studied with LEED, Auger and work function measurements. LEED observations show that in the 200–300 K range Cs is adsorbed as amorphous layers on MoS₂. Correlation of Auger and work function measurements indicates that the work function, sticking coefficient and the maximum density of Cs that can be deposited on the MoS₂ surface depend strongly on substrate temperature. Cesium is deposited on MoS₂ in two adsorption states. Although MoS₂ is extremely inert to O₂ adsorption, the presence of Cs causes a drastic increase in the adsorption of oxygen which in turn increases the amount of Cs that can be deposited on the surface. Lastly, it has been found that part of the Cs adatoms are diffused into the bulk of MoS₂.     

Rotation des moments magnetiques dans BaLa2 Fe2 O7

In the compound BaLa₂Fe₂O₇, below 235 K, spins are oriented along the diagonal of the quadratic cell in an antiferromagnetic configuration. Above this temperature we observe by neutron diffraction a continuous rotation of the magnetic moments in the base plane xyO, the configuration remaining antiferromagnetic; the magnetic symmetry goes from I_pm′mm′ to P2′/m Shubnikov's group. At the transition temperature we observe a discontinuity of the thermal expansion coefficient. This phenomenon can be interpreted in agreement with Landau's theory of second order transitions.     

Photoluminescence of O2 and S2 ions in synthetic sodalities

Photoluminescence spectra of oxygen-doped chloro- and bromosodalites and sulfur-doped chloro-, bromo- and iodosodalites were measured at temperatures between 4.2 and 300 °K. At 4.2 and 77 °K, the emission spectra of oxygen-doped sodalites consisted of a series of peaks in the wavelength range 400–700 nm, with an average energy separation of ∼ 1000 cm^-1. In addition, fine structure, attributed to lattice modes, was observed in each vibrational band. At 4.2 and 77 °K, the sulfur-doped samples showed a multiband spectrum in the 500–750 nm range, with an average separation of ∼ 570 cm^-1 between bands. The spectrum at 4.2 °K exhibited some asymmetry not observed at 77 °K, but no fine structure was resolved. At 300 °K weak, broad-band luminescence was observed from both oxygen- and sulfur-doped samples, with no vibrational structure evident. The results compared very favorably with those reported for oxygen- and sulfur-doped alkali halides, and by analogy the spectra were attributed to luminescence from O^-₂ and S^-₂ molecular ions.     

Heat-flow birefringence in gaseous O2

Under the influence of second-order gradients in the temperature, an anisotropy in the rotational angular momenta in a gas can be set up, giving rise to a birefringence. Preliminary measurements on this effect, called heat-flow birefringence, are reported. An interpretation of the results is given based on a kinetic theory for rarefied gases, combined with data obtained from other experiments such as the Senftleben-Beenakker effect and the depolarized Rayleigh scattering.