双温度氦等离子体输运性质计算

获得覆盖较宽温度和压力范围内的等离子体输运性质是进行等离子体传热和流动过程数值模拟的必要条件.本文采用Saha方程计算等离子体组分, 采用基于将Chapman-Enskog方法扩展到高阶近似的方法, 计算获得了电子温度(T_e)不等于重粒子温度(T_h)的情形下, 在300 K到40000 K的温度范围内氦等离子体的黏性、热导率和电导率. 研究结果表明压力和热力学非平衡参数(θ =T_e/T_h)对氦等离子体的输运性质有较大的影响. 在局域热力学平衡条件下,计算获得的氦等离子体输运性质和文献报道的数据符合良好.     

三明治结构Tan(B3N3H6)n+1 团簇的磁性和量子输运性质

利用密度泛函理论和非平衡格林函数方法, 本文对小尺寸团簇Ta_n(B₃N₃H₆)_n+1 (n ≤ 4)的磁性和量子输运性质进行了系统的研究. 计算结果表明, 此类体系采用三明治结构作为其基态并且具有较高的稳定性. 体系的磁矩随团簇尺寸的增大而线性增大. 当把Ta_n(B₃N₃H₆)_n+1团簇耦合到Au电极上时, 形成的Au-Ta_n(B₃N₃H₆)_n+1-Au体系在有限偏压下展示出了较强的自旋过滤能力, 因而可以被看做是一类新型的低维自旋过滤器.     

类氖等电子系列离子基态的双电子复合速率系数研究

使用全相对论组态相互作用方法, 能级-能级细致计算了0.1 E_I ≤ kT_e≤ 10 E_I (E_I是类钠离子基态的第一电离能) 温度范围内类氖离子基态双电子复合(DR)速率系数, 双激发自电离能级考虑了(2s2p)⁷3ln'l', (2s2p)⁷4l4l' 以及(2s2p)⁷4l5l'组态. 对于(2s2p)⁷3ln'l'双激发自电离组态, 轨道角量子数l' >8 的(2s2p)⁷3ln'l'双激发自电离态对双电子复合速率系数的贡献可以忽略不计; (2s2p)⁷3ln'l'双激发自电离组态的高里德堡态对双电子复合速率系数的贡献满足 n'^-3组态-组态外推法, 并且核电荷数越大, 趋于n'^-3标度的n'值越小; 对细致能级计算得到的类氖离子基态的总DR速率系数进行了拟合, 得到类氖离子基态的总DR速率系数随核电荷数 Z和电子温度变化的经验公式, 该拟合公式与细致计算结果的偏差在2%以内, 能较准确的计算任意核电荷数Z的类氖离子在0.1E_I ≤ kT_e ≤ 10E_I电子温度范围的DR速率系数. Burgess-Merts(BM)近似公式不适用于估算低温(kT_e<0.3 E_I)类氖离子的DR速率系数, 在高温(kT_e>2E_I)时, 类氖离子的DR速率系数可以用BM近似公式表示.     

质子化水团簇对乙炔溶剂化作用的结构与红外光谱

利用团簇模型研究了质子化水团簇对乙炔的溶剂化作用. H⁺(C₂H₂)(H₂O)_n (n=1~5)的量子化学计算结果表明,水分子倾向与乙炔的π电子形成新型OH…π氢键作用,并且乙炔的第一溶剂层需要4个水分子来完成. 模拟的红外光谱揭示了OH…π氢键作用后的OH伸缩振动是研究乙炔与水溶剂化过程的灵敏探针. 这些红外光谱可以用红外光解离光谱实验方法测得,将为理解OH…π氢键作用以及质子化水团簇如何溶剂化乙炔提供有力的科学数据.     

PH, PD和PT分子常数理论研究

采用内收缩多参考组态相互作用(MRCI)方法和包含Davidson修正(+Q) 的MRCI方法结合相关一致基aug-cc-pV5Z研究了PH (X³Σ^-, a¹Δ和A³∏)分子的势能曲线. 在同位素质量识别的基础上对势能曲线进行拟合, 得到PH, PD和PT分子各个电子态的光谱常数(T_e, R_e, ω_e, ω_ex_e, α_e和 B_e). 通过与已有实验数据的比较发现, 本文的结果与实验结果非常一致. 对于PH, PD和PT分子的Σ^-电子态, 计算得到了J = 0时的前12个振动态. 对于每一个振动态, 还分别计算了它的振动能级、惯性转动常数和离心畸变常数. 与其他理论结果和实验数据进行比较可知, 本文的结果更精确、更完整. 文中PD和PT分子的光谱常数和分子常数均属首次报导.     

Historical overview and introduction

The complex balance of processes occurring at the cascade of exotic H-atoms is usually described by the so-called standard cascade model, but this model neglects variations of the kinetic energy T of the exotic atom during the cascade which are crucial for the analysis of several important experiments. New experimental results on T _μp at H₂ pressures between 0.063 and 4 hPa demonstrate the importance of acceleration due to Coulomb de-excitation processes at highly excited μp levels n > 9. The data at the lowest density are sensitive to the initial values of the kinetic energy and n-levels at the moment of atomic capture. From the measured low-energy tail of the T _μp-distribution it can be concluded that a considerable part of the μp(2s) atoms is metastable at pressures of a few hPa. This revised version was published online in August 2006 with corrections to the Cover Date.     

有机分子超薄膜的结构对摩擦的影响

采用分子动力学方法, 模拟了由脂肪酸C_nH_2n+1COOH}和C₁₇H₃₁COOH (n=12,13,14,15,16,17)组成的混合单层Langmuir-Blodgett(LB)膜间的摩擦特性, 探究了膜结构的变化对超薄膜的摩擦的影响. 结果显示. 在滑动过程中, 随着n的增加, 膜内分子的运动受到邻近分子的约束逐渐增加, 膜结构的稳定性也逐渐增加, 其剪切压逐渐减小, n=17时的剪切压最小. 在两单层膜之间无氢键形成; 而混合膜内的分子之间形成的氢键是单层膜结构稳定的主要因素, 其中n=16时形成的氢键最稳定, 但全部由相同C₁₇H₃₁COOH分子组成的单层膜的滑动效果最好. 分子的弯曲形变能对剪切压影响非常小.     

Autosolitons in electron-hole plasma in p-Ge

The self-organization of an electron-hole plasma (EHP) heated by an electric field in pure p-Ge samples at T = 77 K has been studied experimentally. The derived current-voltage characteristics (CVCs) and the distributions of the electric field and IR emission of the hot carriers along the samples show that the segments of a steep rise or the S-shaped segments of the CVCs in samples with n-p junctions are related to the formation of longitudinal thermal-diffusion autosolitons (AS_‖); as a result, thin (d = 2–20 μm in diameter), melted-through current channels appear. Such AS_‖ are formed at high EHP densities (n ≥ 1 × 10¹⁶ cm⁻³), when the electron-hole scattering is dominant, and at electron temperatures T _e = (2–4.5)T ₀ (T ₀ is the lattice temperature). The saturation segments and the N-shaped segments in the CVCs are attributable to the generation of transverse thermal-diffusion high-field autosolitons (AS_⊥) in the form of narrow strata with electric field strengths = 1–20 kV cm⁻¹. High-field AS_⊥ are formed at EHP densities n = 5 × 10¹³−1 × 10¹⁶ cm⁻³, when the electron-phonon scattering is dominant, and at electron temperatures T _e ∼ Θ ≥ 5T ₀ (Θ is the Debye temperature). The generated longitudinal and transverse autosolitons have high temperatures (T _e ≥ 1000 K) and reduced carrier densities and can exist simultaneously in different parts of the sample. Original Russian Text ? M.N. Vinoslavskiĭ, P.A. Belevskii, A.V. Kravchenko, 2006, published in Zhurnal éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2006, Vol. 129, No. 3, pp. 477–492.     

燃料电池系统最大热力学电效率及对氢气、甲烷和丙烷的应用结果

燃料电池系统的最大电效率（η_e^max）对理解和发展燃料电池技术至关重要.本文通过对燃料电池系统的热力学分析,在考虑加热燃料与空气至燃料电池工作温度的热量需求的基础上,建立了燃料电池运行过程的能量平衡关系,进而推导出了η_e^max的显式理论表达式.结果表明,与卡诺效率不同,η_e^max与燃料有关.由于除氢燃料外,计算η_e^max需要进行化学平衡计算,本文推导了烷烃燃料化学平衡态的解析解.所得理论模型被用于分析温度（T）与燃料水含量及废热回收率对η_e^max的影响.结果表明,甲烷和丙烷燃料的η_e^max随温度的升高而显著降低.此外,对中等废热回收率且运行于700 ℃≤T≤900 ℃的燃料电池系统,氢气燃料的η_e^max要高于甲烷和丙烷燃料的η_e^max.     

增加光子奇偶q相干态的高阶压缩效应

通过数值计算研究了增加光子奇q相干态a_q^+m|α>_q^o和增加光子偶q相干态a_q^+m|α>_q^e的高阶压缩效应.结果表明:当q较小时,态a_q^+m|α>_q^o和a_q^+m|α>_q^e都能呈现出强烈的奇次方阶压缩效应,但无偶次方阶压缩效应,而且奇次方阶压缩随m的增大而增强.当m=0时a_q^+m|α>_q^o和a_q^+m|α>_q^e为光场振幅偶次幂的最小测不准态,但当m≠0时它们不是光场振幅偶次幂的最小测不准态.     

螺旋波激发氢等离子体光谱诊断

 利用螺旋波等离子体化学气相沉积(HWP-CVD)技术,以氢气为反应气体产生等离子体。通过采集氢的可见到紫外发射光谱,对等离子体进行了原位诊断,由氢Balmer系分析得到了不同实验参数对激发态氢原子相对密度的影响,通过对Fulcher带的分析,得到实验参数对氢振动温度的影响。结果表明：低压氢等离子体状态可借用日冕模型来诊断;激发态氢原子密度随入射功率增加而增加,随压强增加而减少,氢分子振动温度随压强增加先增大后减小;电子温度和电子密度是低压氢等离子体状态变化的关键因素。     

气压对于低气压双频容性耦合Ar/O2 等离子体放电特性影响的研究

 研究了气压对双射频氩氧混合等离子体电子温度和电子密度的影响。在13.56MHz低频功率和94.92MHz高频功率固定为60W和氩氧气体比为1:9的情况下，利用发射光谱法分析了气压不同时氩氧混合等离子体的放电光谱中的特征谱线的变化规律。使用一维质点网格法(PIC-MC)静电模型计算了电子温度和电子密度。结果表明：电子温度随着气压的增加先降低后升高，与实验结果趋势相吻合；电子密度随着气压的增加先增大后减小。     

Defect-free growth of epitaxial silicon at low temperatures (500–800 °C) by atmospheric pressure plasma chemical vapor deposition

Epitaxial Si growth at low temperatures (500–800 °C) by atmospheric pressure plasma chemical vapor deposition has been investigated. Silicon films are deposited on (001) Si wafers using gas mixtures containing He, H₂, and SiH₄. The effects of deposition parameters (composition of reactive gases, very high frequency (VHF) power, and substrate temperature) on film properties are investigated by reflection high-energy electron diffraction, atomic force microscopy, cross-sectional transmission electron microscopy, and plasma emission spectroscopy. It is found that epitaxial temperature can be reduced by increasing VHF power, and that an optimum range of VHF power exists for Si epitaxy, depending on the substrate temperature and the composition of the reactive gases. The result of the H₂ concentration dependence of H_α emission intensity, shows that hydrogen atoms generated in the atmospheric pressure plasma play an important role in Si epitaxial growth. Under the optimized growth conditions, defect-free epitaxial Si films (as observed by transmission electron microscopy) with excellent surface flatness are grown at 500 °C with an average growth rate of approximately 0.25 μm/min. PACS 81.05.Cy; 81.15.Gh; 68.55.Jk     

磁场-微波等离子体与大面积金刚石薄膜

在磁场辅助下电子回旋共振(ECR)效应在大的空间范围形成高密度的等离子体,为大面积金刚石薄膜的淀积提供有利条件,以CH₄-H₂为原料气体,在Si基片上,在比其他制备方法更低的压强(3Torr附近)下已制备出直径约为5cm的金刚石薄膜,从空间等离子体范围来看且有可能达更大的面积,在分析等离子体发射光谱的基础上,对0.5到50Torr压强的金刚石气相生长条件作了讨论。 关键词：     

甚高频激发容性耦合氩等离子体的电子能量分布函数的演变

甚高频激发的容性耦合等离子体由于离子通量和能量的相对独立可控而受到人们的关注. 本文采用朗缪尔探针诊断技术测量了40.68 MHz激发的容性耦合Ar等离子体的特性(如电子能量概率分布、电子温度和密度等)随宏观参量的演变情况. 实验结果表明, 电子能量概率分布随着气压的增加从双麦克斯韦分布逐步转变为单麦克斯韦分布并最终演变为Druyvesteyn分布, 而射频激发功率的增加促进了低能电子布居数的增强; 在从等离子体放电中心移向边界的过程中, 低能电子的布居数显著下降, 而高能电子的布居则有所上升; 放电极板间距的变化直接导致了等离子体中电子加热模式的转变. 另外, 我们也对等离子体中的高低能电子密度和温度的分配情况进行了讨论.     

Effects of gas pressure on plasma characteristics in dual frequency argon capacitive glow discharges at low pressure by a self-consistent fluid model

A self-consistent fluid model for dual radio frequency argon capacitive glow discharges at low pressure is established.Numerical results are obtained by using a finite difference method to solve the model numerically, and the results are analyzed to study the effect of gas pressure on the plasma characteristics. It shows that when the gas pressure increases from 0.3 Torr(1 Torr = 1.33322×10~2 Pa) to 1.5 Torr, the cycle-averaged plasma density and the ionization rate increase;the cycle-averaged ion current densities and ion energy densities on the electrodes electrode increase; the cycle-averaged electron temperature decreases. Also, the instantaneous electron density in the powered sheath region is presented and discussed. The cycle-averaged electric field has a complex behavior with the increasing of gas pressure, and its changes take place mainly in the two sheath regions. The cycle-averaged electron pressure heating, electron ohmic heating, electron heating, and electron energy loss are all influenced by the gas pressure. Two peaks of the electron heating appear in the sheath regions and the two peaks become larger and move to electrodes as the gas pressure increases.     

Characteristics of VHF H2 Plasma Produced at High Pressure

A VHF H₂ plasma was produced with the multi rod electrode at high pressure and the plasma parameters were measured as a function of pressure for different VHF powers at 60 MHz. It was found that when the pressure is increased, the ion saturation current peaks at certain pressure and finally decreases at high pressures, while the electron temperature is around 10 eV. The wall potential at high pressure was lower than the values estimated from the electron temperature using the probe theory. Furthermore, the anomalous reduction of the electron saturation current was observed. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

VHF等离子体光发射谱(OES)的在线监测

采用光发射谱(OES)测量技术，对不同制备条件下的甚高频(VHF)等离子体辉光进行了在线监 测.实验表明，VHF等离子体中特征发光峰(Si，SiH,H_α,H^*_β 等)的强度较常规的射 频(RF)等离子体明显增强，并且在制备μc-Si：H的工艺条件下(H稀释度R(H₂/S iH₄)=23 )，随激发频率的增加而增大，这些发光峰的变化趋势与材料沉积速率的变化规律较相似.Si H峰等的强度随气压的变化则因硅烷H稀释度及功率的不同而异：高H稀释(R=23)时，SiH峰强 度在低辉光功率下随反应气压的增大单调下降，在高辉光功率下随气压的变化呈现类高斯规 律；低H稀释(R=5．7)时， SiH峰随气压的变化基本上是单调下降的，下降速率也与功率有 关，这些结果表明，VHF-PECVD制备μc-Si：H和a-Si：H的反应动力学过程存在较大差异.此 外，随着激发功率的增大，Si，SiH峰都先迅速增大然后趋于饱和，并且随着H稀释率的增大 ，将更快呈现饱和现象.通过对OES结果的分析与讨论可知，VHF-PECVD技术沉积硅基薄膜可 以有效提高沉积速率，而且，硅基薄膜的沉积速率的进一步提高需要综合考虑H稀释度、气 压和功率等的匹配与优化. 关键词： 甚高频等离子体化学气相沉积 氢化硅薄膜 光发射谱     

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采用Langmuir探针法结合发射光谱法对螺旋波诱导的低压氢等离子体进行诊断,根据Druyvesteyn 方法和日冕模型分析电子能量几率函数(EEPF)、有效电子温度(Teff)、电子密度(ne)及激发态氢原子密度(nH*)随实验参数的变化规律.结果表明:随射频功率(Prf)、气压(p)和约束磁场(B)的增大,EEPF峰位由高能向低能移动,Teff 下降;当Prf从25W增大至35W左右时,ne发生跳跃增长,而nH*始终随Prf增大线性增长;随p增大,ne和nH*都呈现先增加后减小的变化规律;随B增强,ne线性增长,而nH*先增大后减小.     

高气压均匀直流辉光放电等离子体的光学特性

在高气压(大于100 Torr, 1 Torr=1.33322×10² Pa)平板位形的均匀直流辉光放电中, 一定条件下观察到平行排列的明暗相间的等离子体辉纹. 结合等离子体的光发射谱诊断, 研究了气体组分对等离子体光学特性的影响. 研究发现, 随着甲烷浓度的增加, 辉纹间距减小, 相应的电子激发温度降低. 当甲烷浓度增加时, 等离子体中低电离能的粒种增加, 粒子平均电离能减小, 这种情况下, 电子被电场加速较短的距离所获得的能量就可以激发粒子, 产生可见的光发射, 表现为辉纹间距缩短. 随着氩气的引入, 能够观察到明显的辉纹, 且增大氩气含量, 辉纹间距增加, 这与氩的较高电离能有关, 而相应的电子激发温度增加. 研究结果表明, 随着工作气体的改变, 等离子体辉纹间距呈现出一种对电子温度的响应.