基于TDLAS-bLS方法的夏玉米农田氨挥发研究

采用开放光程可调谐二极管激光吸收光谱技术和反向拉格朗日随机扩散模型,通过田间试验,开展基于高时间分辨率数据的农田氨挥发研究,旨在为揭示农田氨挥发的动态变化规律提供新技术新方法。结果表明,TDLAS-bLS法能有效监测农田氨挥发动态,尤其是日内变化规律。豫北平原潮土农田夏玉米追肥后日内氨挥发有两个挥发峰值,分别在9:00和14:00左右,第一个高峰是由于夜晚溶解在露水中的氨气随露水蒸发而再次挥发,第二个高峰受地温和光照影响所致。追肥后氨挥发速率迅速升高,但挥发高峰期持续时间较短,集中于前四天,整个监测期内氨挥发损失约25.3%。TDLAS-bLS法与通气法相比,测定结果有一定差异。     

三代微光管防离子反馈Ａｌ２Ｏ３ 膜电子轰击放气成分分析

为了解决防离子反馈Ａｌ２Ｏ３膜污染对三代微光管ＧａＡｓ光电阴极灵敏度的影响,用四级质谱计对制管超高真空室残气、无膜微通道板（ＭＣＰ）和带Ａｌ２Ｏ３膜ＭＣＰ在电子轰击时的放气成份进行分析。结果表明,带Ａｌ２Ｏ３膜ＭＣＰ放出有对阴极光电发射有害的Ｃ、ＣＯ、ＣＯ２、ＮＯ、Ｈ２Ｏ２和ＣXＨY化合物,它们来源于Ａｌ２Ｏ３膜制备过程的质量污染。经过对制膜工艺质量进行改进,制备出了放气量小于２１０－９ Ｐａ且无ＣＸＨＹ化合物气体的Ａｌ２Ｏ３膜。     

ZnO nanorod arrays with tunable size and field emission properties on an ITO substrate achieved by an electrodeposition method

In the present work,vertically aligned ZnO nanorod arrays with tunable size are successfully synthesized on nonseeded ITO glass substrates by a simple electrodeposition method.The effect of growth conditions on the phase,morphology,and orientation of the products are studied in detail by X-ray diffraction(XRD),scanning electron microscopy(SEM),and transmission electron microscopy(TEM).It is observed that the as-prepared nanostructures exhibit a preferred orientation along c axis,and the size and density of the ZnO nanorod can be controlled by changing the concentration of ZnCl2.Field emission properties of the as-synthesized samples with different diameters are also studied,and the results show that the nanorod arrays with a smaller diameter and appropriate rod density exhibit better emission properties.The ZnO nanorod arrays show a potential application in field emitters.     

Frequencies-Selected Enhancement of the Extended High-Order Harmonic Generation Plateau from a United Two-Atom System Irradiated by a Combined Pulse

We present a high-order harmonic generation (HHG) spectrum from a united two-atom system exposed to a combined laser pulse, by numerically solving a one-dimensional time-dependent Schr6dinger equation. The combined laser pulse is composed of a low-frequency femtosecond pulse and a high-frequency attosecond one with respective appropriate amplitudes. For a suitable inter-nuclear separation, the harmonic emission efficiencies near the second cutoff of the extended plateau can be effectively enhanced by more than four orders of magnitude compared with the case of the low-frequency pulse alone. Such a combined pulse irradiating on the united twoatom system ionizes each atom, in a large rate (but not to a too large ionization yield), mainly at a particular time-interval. When the ionized electron from an atom reaches at the vicinity of the other atom and recombines with it, significant HHG enhancement is achieved for particular harmonics. This result, to our knowledge, is one of the best up to now in the endeavor for dramatically extending the width and simultaneously enhancing the height of the plateau.     

用杂化CIS-DFT方法研究外电场对乙烯激发态的影响

采用杂化CIS-DFT方法研究了外电场对乙烯分子基态和激发态性质的影响，结果表明外电场对分子几何结构，总能量，偶极矩，极化率，振子强度和激发能有显著影响。CIS-DFT的优点在于它能确定外场下分子的对称性并且给出正确的激发顺序以及分子轨道的电子组态，由此导出乙烯分子的激发态，计算结果与实验一致。首次研究了乙烯分子的外电场效应。与其他从头算方法相比，杂化CIS-DFT方法计算精度和效率相对较高，可用于研究大分子体系。     

高温超导体Bi_(1.6)Pb_(0.4)Ca_2Sr_2Cu_3O_y中的表面超导相

在 Bi_(1.6)Pb_(0.4)Ca_2Sr_2Cu_3O_y 样品中存在着110K 和85K 两个超导相,样品的零电阻温度为105K.磁化率、比热以及不同温度下的 M-H 曲线测量结果均表明85K 相为表面超导相,在样品中占有较小的体积分数.文中还报道了样品的H_(c1)(0).     

Gd掺杂对Bi2Sr2Ca1-xGdxCu2Oy单晶载流子浓度和各向异性电阻率的影响

系统地研究了Gd掺杂对Bi2Sr2Ca1-xGdxCu2Oy单晶超导电性及各向异性电阻率的影响.Tc满足Tc/Tc,max=1-82.6(ax+b)2,并随Gd含量的增加而下降,这是由于Gd掺杂引起载流子浓度减小所导致.在x≥0.19时,ρab(T)在Tc附近有类半导体行为,dρab/dT随Gd含量增大而增大.ρc(T)呈半导体行为,并可用唯象公式ρc(T)=(a/T)exp(Δ/T)+bT+c加以描述.电阻率各向异性ρc/ρab随掺杂浓度增大而增大.     

弱结合分子Kr-HF结构与相关效应

采用二阶、三阶MollerPlesset微扰理论方法(MP2,MP3),组态相互作用方法(QCISD)在不同的基组下对弱结合分子体系KrHF进行了abinitio计算,得到了KrHF体系的两个不同的线型平衡几何结构:KrHF和KrFH.对于KrHF分子,在MP2/6311++G水平上得到Kr与HF分子中心的间距为037787nm,离解能为61480eV,谐振频率分别为ν1(σ)=41879638cm-1,ν2(π)=1622953cm-1,ν3(σ)=418689cm-1.并计算得到了这两个分子构型的热力 关键词：     

CALCULATION OF THE RELATIVISTIC CORRECTION ENERGIES OF Ne-LIKE IONS WITH ORBITAL POLARIZATION CORRECTION

This paper reports the theoretical calculation of Breit, self-energy, and vacuum polarization corrections in the Ne-like system using multi-configuration Dirac-Fock method with the orbital polarization. The relations of these corrections with the atomic number and the orbital symmetries are shown and the calculated correction energies are compared with other calculated results. Our Breit correction energies are all smaller by 1eV as maximum than the other theoretical Breit correction energies and the differences reveal ystematical relation with atomic number. It is found that the configuration interactions have great effect on Breit corrections while the orbital polarization has much smaller effect on Breit corrections. The self-energy and vacuum polarization obtained by our calculation are much different from that in previous literatures for some transitions.     

Kr对HF(X1Σ+)基频和泛频的影响

运用Monte-Carlo轨迹法研究了Kr(1Sg)+HF(X1Σ+;ν=1,2,3;J=4)→Kr(1Sg)+HF(X1Σ+,ν',J')的碰撞过程,从而分析Kr原子对HF基频和泛频的影响。研究表明：在初始相对平动能Et≤251.0kJ/mol时,Kr原子能够减少产生基频的粒子数反转,增加产生泛频特别是ν'=2能级的粒子数反转,并且,Kr原子有较强的弛豫高转动态（J'≥4）的能力,因此,Kr原子对HF泛频激光在提高光强和增强大气传输能力方面均有 较大的改善。