OH分子束产生及其相关特性研究

以Ar为载气,采用直流脉冲放电,产生了OH超声分子束,研究了实验参量对实验结果的影响,并建立了理论模型,较好地解释了实验现象.对OH(A2Σ-X2Π)(0,0)带发射光谱强度分布进行了测量与分析,获得实验条件下的振动温度与转动温度分别为4170 K与3075 K.     

Mechanism of magnetic field effect on OH density distribution in a methane–air premixed jet flame

The mechanism of magnetic field effect on OH density distribution in a methane-air premixed jet flame was investigated by means of PLIF measurement and numerical simulation. In the experiment, magnetically induced change in the OH density profile in the flame in a N₂ atmosphere was much smaller than that in air (mixture of 80% N₂ and 20% O₂), and such a phenomenon was qualitatively reproduced by solving the equations for reactive gas dynamics and magnetism in the numerical simulation. Here, N₂ is diamagnetic and little affected by the magnetic field, while O₂ is paramagnetic and influenced due to the magnetic field. This provided the experimental and numerical verification for the mechanism of the magnetic field effect suggested in our previous study. That is, the magnetic force does not directly and selectively induce the change in the diffusion velocity of OH itself. Alternatively, the magnetic force acting on O₂ in the surrounding air, whose mass density and magnetic susceptibility are much larger than that of other chemical species in the flame, causes the change in the convection velocity of the gas mixture and displaces the OH density distribution indirectly and passively. In other words, the most important cause of the OH density change is not the diffusion of OH, but the convection of air containing a large amount of O₂. Furthermore, by careful examination of the magnetic field effect on the flame in the N₂ atmosphere, it was found out that the magnetic force does not only act on O₂ in the surrounding air, but also on O₂ in the premixed gas injected from the burner.     

Raman study of the segregation of GaAs/AlAs heterostructures grown by molecular beam epitaxy

The Raman spectra of the optical confined phonons in the GaAs/AlAs ultra-thin layer superlattices grown with different growth conditions were used to determine the compositional profiles and to study the process of segregation at the heterointerfaces. A modified kinetic model was developed in order to calculate the compositional profiles in the samples under investigation. The comparison between the experimentally obtained compositional profiles and those calculated by the kinetic model allowed us to determine the parameters characterizing the segregation. It was shown that the increase of pressure of As acts equivalently to the decrease of the growth temperature, resulting in a more abrupt compositional profile.     

Hydrodynamic instability of premixed flame propagating in narrow planar channel in the presence of gas flow

The paper analyses the hydrodynamic instability of a flame propagating in the space between two parallel plates in the presence of gas flow. The linear analysis was performed in the framework of a two-dimensional model that describes the averaged gas flow in the space between the plates and the perturbations development of two-dimensional combustion wave. The model includes the parametric dependences of the flame front propagation velocity on its local curvature and on the combustible gas velocity averaged along the height of the channel. It is assumed that the viscous gas flow changes the surface area of the flame front and thereby affects the propagation velocity of the two-dimensional combustion wave. In the absence of the influence of the channel walls on the gas flow, the model transforms into the Darrieus–Landau model of flame hydrodynamic instability. The dependences of the instability growth rate on the wave vector of disturbances, the velocity of the unperturbed gas flow, the viscous friction coefficients and other parameters of the problem are obtained. It is shown that the viscous gas flow in the channel can lead, in some cases, to a significant increase in instability compared with a flame propagating in free space. In particular, the instability increment depends on the direction of the gas flow with respect direction of the flame propagation. In the case when the gas flow moves in the opposite direction to the direction of the flame propagation, the pulsating instability can appear.     

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EAST NBI束线综合测试台已研制完成并具备一台兆瓦级离子源测试运行的全套电源设备,包括离子源灯丝电源、弧电源、加速器电源、抑制极电源、偏转磁体电源及缓冲器电源等。介绍了EAST兆瓦级离子源进行起弧放电调试运行的方式,叙述了各套离子源电源系统的设计结构、技术特点及运行控制方式,分析了离子源电源系统稳定可靠运行需要解决的各个难点,给出了EAST束线样机进行高功率及长脉冲束引出测试运行的实验结果。     

自由基OH（X^П,A^2∑^＋）的从头算研究

用分子轨道从头算方法，研究了OH分子的基态(X^П)和激发态(A^2∑^+)。结果表明，对于基态，在QCISD(T)／6—311++G(3df,3pd)理论水平上，键距是0．09704nm，与实验值0．09706nm完全吻合。对于激发态，使用完全活性空间方法(CASSCF)和大基组6—311++G(3df,3pd)，键距是0．10098nm，与实验值0．10121nm基本吻合。从激发态A^2∑^+(v＝0)到基态X^П(v＝0)的垂直跃迁能量是4．4692eV，与实验值4．3980eV也吻合较好。     

分子束外延Mn4N单晶薄膜的反常霍尔效应研究

Mn₄N是立方相的反钙钛矿型晶体,具有显著的亚铁磁性和反常霍尔效应.该文利用等离子辅助分子束外延在MgO(100)衬底上生长厚度为40 nm的Mn₄N(100)单晶薄膜,通过X射线衍射θ扫描和φ扫描,证实外延层的结构符合Mn₄N单晶的空间结构特征;化学态测试结果表明Mn₄N(100)薄膜内部存在Mn⁰、Mn²⁺和Mn⁴⁺等几种价态,其实际化学式为Mn_3.6N,薄膜中存在富余的N元素;电学测试数据表明Mn₄N(100)薄膜具有以电子为载流子的反常霍尔效应(在正磁场中得到负的霍尔电阻率),正常霍尔效应的贡献约占千分之六,其反常霍尔电阻率随着测试温度升高5 K～350 K单调增大,说明温度升高导致电子散射现象加剧.通过对测试数据分析可以推断,在5 K～50 K和50 K～75 K温度范围,反常霍尔效应的来源可分别归结为电子斜散射机制和电子边跳机制.在75 K～350 K这一温度范围内,反常霍尔效应...     

Correlation between structural and optical properties of ion beam synthesized β-FeSi2 precipitates in Si

The structural and optical properties of β-FeSi₂ precipitates produced by ion beam synthesis have been investigated by transmission electron microscopy, photoluminescence (PL) analysis and near infrared transmission measurements. The PL spectrum of β-FeSi₂ precipitates in a dislocation free sample has been observed to consist of a sharp line at 1.54 μm and a weak peak at 1.46 μm. Optical transmission measurements showed a direct band gap about 0.8 eV smaller than in continuous β-FeSi₂ film. Calculation of the electronic bands of β-FeSi₂ for different values of the lattice parameters indicates that this reduction can be ascribed to band distortion provided by the lattice strain.     

Theoretical investigation on H abstraction reaction mechanisms and rate constants of Isoflurane with the OH radical

The mechanism of H abstraction reactions for Isoflurane with the OH radical was investigated using density functional theory and G3(MP2) duel theory methods. The geometrical structures of all the species were fully optimised at B3LYP/6-311++G** level of theory. Thermochemistry data were obtained by utilising the high accurate model chemistry method G3(MP2) combined with the standard statistical thermodynamic calculations. Gibbs free energies were used for the reaction channels analysis. All the reaction channels were confirmed throughout the intrinsic reaction coordinate analysis. The results show that two channels were obtained, which correspond to P(1) and P(2) with the respective activation barriers of 63.03 and 54.82 kJ/mol. The rate constants for the two channels over a wide temperature range of 298.15–2000 K were predicted and the calculated data are in agreement with the experimental one. The results show that P(2) is the dominant reaction channel under 800 K and above 800 K, it can be found that P(1) will be more preferable reaction channel.     

Magnetic resonance in the era of molecular imaging of cancer

Magnetic resonance imaging (MRI) has played an important role in the diagnosis and management of cancer since it was first developed, but other modalities also continue to advance and provide complementary information on the status of tumors. In the future, there will be a major continuing role for noninvasive imaging in order to obtain information on the location and extent of cancer, as well as assessments of tissue characteristics that can monitor and predict treatment response and guide patient management. Developments are currently being undertaken that aim to provide improved imaging methods for the detection and evaluation of tumors, for identifying important characteristics of tumors such as the expression levels of cell surface receptors that may dictate what types of therapy will be effective and for evaluating their response to treatments. Molecular imaging techniques based mainly on radionuclide imaging can depict numerous, specific, cellular and molecular markers of disease and have unique potential to address important clinical and research challenges. In this review, we consider what continuing and evolving roles will be played by MRI in this era of molecular imaging. We discuss some of the challenges for MRI of detecting imaging agents that report on molecular events, but highlight also the ability of MRI to assess other features such as cell density, blood flow and metabolism which are not specific hallmarks of cancer but which reflect molecular changes. We discuss the future role of MRI in cancer and describe the use of selected quantitative imaging techniques for characterizing tumors that can be translated to clinical applications, particularly in the context of evaluating novel treatments.     

The first results of divertor discharge and supersonic molecular beam injection on the HL-2A tokamak

HL-2A tokamak is the first tokamak with divertors in China. The plasma boundary and the position of the striking point on the target plates of the HL-2A closed divertor were simulated by the current filament code and they were in agreement with the diagnostic results in the divertor. Supersonic molecular beam injection (SMBI) system was first installed and tested on the HL-2A tokamak in 2004. In the present experiment low pressure SMBI fuelling on the HL-2A closed divertor was carried out. The experimental results indicate that the divertor was operated in the `linear regime' and during the period of SMB pulse injection into the HL-2A plasma the power density convected at the target plate surfaces was 0.4 times of that before or after the beam injection. It is a useful fuelling method for decreasing the heat load on the neutralizer plates of the divertor.     

Photodegradation of butyl acrylate in the troposphere by OH radicals: kinetics and fate of 1,2‐hydroxyalcoxy radicals

The rate constant of the reaction of OH radicals with butyl acrylate was studied for the first time using an atmospheric simulation chamber at 298 K and ～750 Torr of air or nitrogen. The decay of the organics was followed using a gas chromatograph with a flame ionization detector (GC‐FID), and the rate constant was determined using a relative rate method with different references. The obtained average value of (1.80 ± 0.26) × 10^?11 cm³ molecule^?1 s^?1 is in agreement with previous determinations of the rate constants of OH radicals with acrylates and methacrylates in the literature. Additionally, product identification under atmospheric conditions was performed for the first time by the GC‐MS technique. Butyl glyoxalate was observed as the degradation product in accordance with the addition of OH to the less substituted carbon atom of the double bond, followed by decomposition of the 1,2‐hydroxyalkoxy radicals formed. Room temperature rate coefficient was used to estimate the atmospheric lifetime of the ester studied. Reactivity trends are discussed in terms of the substituent effects and the length of the hydrogenated chain of the ester. The atmospheric persistence of BUAC was calculated taking into account the experimental rate constant obtained. Copyright © 2008 John Wiley & Sons, Ltd.     

Theoretical investigations of the gas phase reaction of limonene (C10H16) with OH radical

The rate coefficients of hydroxyl radical (OH) reaction with limonene were computed using canonical variational transition state theory with small-curvature tunnelling between 275 and 400 K. The geometries and frequencies of all the stationary points are calculated using hybrid density functional theory methods M06-2X and MPWB1K with 6-31+G(d,p), 6-311++G(d,p), and 6-311+G(2df,2p) basis sets. Both addition and abstraction channels of the title reaction were explored. The rate coefficients obtained over the temperature range of 275–400 K were used to derive the Arrhenius expressions: k(T) = 4.06×10^?34 T^7.07 exp[4515/T] and k(T) = 7.37×10^?25 T^3.9 exp[3169/T] cm³ molecule^?1 s^?1 at M06-2X/6-311+G(2df,2p) and MPWB1K/6-311+G(2df,2p) levels of theory, respectively. Kinetic study indicated that addition reactions are major contributors to the total reaction in the studied temperature range. The atmospheric lifetime (τ) of limonene due to its reactions with various tropospheric oxidants was calculated and concluded that limonene is lost in the atmosphere within a few hours after it is released. The ozone production potential of limonene was computed to be (14–18) ppm, which indicated that degradation of limonene would lead to a significant amount of ozone production in the troposphere.     

粒子束在气体系统中的碰撞频率和反应速率系数

利用统计的方法,系统研究了粒子束与气体系统中粒子的碰撞频率分布和总碰撞频率;分析了气体系统粒子间的碰撞频率以及反应速率系数与特征速率的关系.     

Influence of boron on the initial stages of Si molecular beam epitaxy on Si(1 1 1) studied by reflection high-energy electron diffraction

The influence of boron as a function of coverage on molecular beam epitaxial Si growth on Si(1 1 1) surface was systematically studied by reflection high-energy electron diffraction. At boron coverage above 0.3 monolayer regular oscillations occur with a period typically for two-bilayers, whereas at lower boron coverage a transient behaviour with irregular intensity oscillations was observed in the initial growth stages. This behaviour can be attributed to a superposition of a bilayer and a two-bilayer dominated growth mode. The appearance of these two growth modes is discussed in terms of an initial surface defect-induced nucleation of bilayer-high Si islands and the formation of two-bilayers-high Si islands on top of the van der Waals like boron-covered surface, respectively. We suggest that these surface defects are of intrinsic nature, and their number only depends on the amount of boron at the surface. The oscillations become regular during further Si deposition with a bilayer period, indicating a diminishing influence of the layer/substrate interface on the growth processes.     

Adsorption dynamics of CO2 on Cu(1 1 0): A molecular beam study

Molecular beam scattering measurements have been conducted to examine the adsorption dynamics of CO₂ on Cu(1 1 0). The initial adsorption probability, S₀, decreases exponentially from 0.43 ± 0.03 to a value close to the detection limit (∼0.03) within the impact energy range of E_i = (0.12-1.30) eV. S₀ is independent of the adsorption temperature, T_s, and the impact angle, α_i, i.e., the adsorption is non-activated and total energy scaling is obeyed. The coverage, Θ, dependent adsorption probability, S(Θ), agrees with precursor-assisted adsorption dynamics (Kisliuk type) above T_s ∼ 91 K. However, below that temperature adsorbate-assisted adsorption (S increases with Θ) has been observed. That effect is most distinct at large E_i and low T_s. The S(Θ) data have been modeled by Monte Carlo simulations. No indications of CO₂ dissociation were obtained from Auger Electron Spectroscopy or the molecular beam scattering data.     

The tautomerization of H2NCH2C(OH)NH to H2NCH2CONH2 in the interstellar medium

The tautomerization of H2NCH2C(OH)NH to H2NCH2CONH2 is an important step by way of Strecker synthesis for the production of glycine in the interstellar medium (ISM) with respect to the origin of amino acids on the early Earth.Our work indicates two mechanisms for the tautomerization to occur.k CVT/SCT (rate constant) is 45.6s-1 at 50 K,obtained with the small curvature tunneling (SCT) approximation and canonical variational transition state theory (CVT),to support one mechanism assisted by quantum tunneling...     

HL-1M装置高气压超声分子束加料效果

超声分子束注入作为一种新的托卡马克加料方法,已成功地开发和应用于环流器新一号(HL1M)和超导托卡马克HT7.近期开展的高气压超声分子束注入实验,在束流中发现了团簇流,其注入等离子体深度超过17cm.电子密度上升率接近于小型冰弹丸加料.多脉冲超声分子束注入形成电子密度阶梯形上升,类似于多弹丸加料效果,电子温度剖面呈中空分布.描述了在HL1M装置同一次欧姆放电等离子体中超声分子束与冰弹丸加料效果的实验比较. 关键词： 超声分子束 托卡马克 团簇 加料     

Study on the bias-dependent effects of proton-induced damage in CdZnTe radiation detectors using ion beam induced charge microscopy

The influence of damage induced by 2 MeV protons on CdZnTe radiation detectors is investigated using ion beam induced charge (IBIC) microscopy. Charge collection efficiency (CCE) in irradiated region is found to be degraded above a fluence of 3.3 × 10¹¹ p/cm² and the energy spectrum is severely deteriorated with increasing fluence. Moreover, CCE maps obtained under the applied biases from 50 V to 400 V suggests that local radiation damage results in significant degradation of CCE uniformity, especially under low bias, i. e., 50 V and 100 V. The CCE nonuniformity induced by local radiation damage, however, can be greatly improved by increasing the detector applied bias. This bias-dependent effect of 2 MeV proton-induced radiation damage in CdZnTe detectors is attributed to the interaction of electron cloud and radiation-induced displacement defects.     

Ordered growth of germanium dots induced by the strain field of tilt dislocations in molecular bonded silicon (0 0 1) thin films

Germanium dots have been grown on high twist angle (twist angle as high as 20°) molecular bonded silicon (0 0 1) substrates. We show that, depending on the thickness of the silicon film, the strain field generated by an ordered array of mixed edge interfacial tilt (miss-cut) dislocations may induce an ordered growth of germanium dots. We also show that in order to observe an influence of the mixed edge interfacial dislocations on the growth of germanium dots, the thickness of the film has to be much lower that the period of the mixed edge dislocations array. Germanium dots grown by molecular beam epitaxy on 10-15 nm thick silicon films with the period of tilt dislocation array of 43 nm show a high degree of self-ordering.