外电场作用下BrCl分子的物理特性与光谱

采用HF （Hartree-Fock）方法,在6-31+G（d,p）基组水平上优化不同外电场（0~0.035 a.u.）下氯化溴分子的基态稳定构型,在此基础上计算氯化溴分子的分子结构、偶极矩、分子总能量、分子键长、分子电荷分布、分子能隙、红外光谱及解离势能面等.结果表明：随着Z轴（平行于Br-Cl连线）方向外电场的增加（0~0.035 a.u.）,分子总能量先小幅度增加后又降低,键长先减小后增大,分子偶极矩先减小后单调增加,原子电荷分布递增,分子能隙逐渐减小,分子红外光谱先蓝移后红移.通过对解离势能面的计算分析发现,强度为0.045 a.u.的外电场使得Br-Cl键断裂而降解,该结果对氯化溴进行电场降解提供参考依据.     

应用Origin8.0软件计算惠斯登电桥中的待测电阻

固定实验条件,使得惠斯登电桥灵敏度是标准电阻的一元函数。再应用Origin8.0软件对实验数据进行曲线拟合,从而得到待测电阻、检流计内阻以及检流计灵敏度的数值。     

Humidity effect on the interaction between carbon nanotubes and graphite

An atomic force microscope is used to study the effect of humidity on the interaction between carbon nanotubes anchored to atomic force microscopy tips and various samples. Commercial silicon tips were also used for comparison. Adhesion force and dissipative energy were measured between these tips and highly oriented pyrolytic graphite (HOPG) and PMMA in contact mode. The data provides a detailed understanding of carbon nanotube interactions as a function of humidity.     

Comparative analysis of phase extraction methods based on phase-stepping and shifting curve in grating interferometry

Two phase extraction methods which are based separately on phase-stepping and shifting curve are mainly used in phase-sensitive imaging in gating interferometry to determine the x-ray phase shift induced by an object in the beam. In this paper, the authors perform a full comparative analysis and present the main virtues and limitations of these two methods according to the theoretical analysis of the grating interferometry.     

Pressure effect study on the I－V property of the GaAs-based resonant tunnelling structure by photoluminescence measurement

This paper discusses the I-V property of the GaAs-based resonant tunnelling structure （RTS） under external uniaxial pressure by photoluminescence studies. Compressive pressure parallel to the [110] direction, whose value is determined by Hooke＇s law, is imposed on the sample by a helix micrometer. With the increase of the applied external uniaxial compressive pressure, the blue shift and splitting of the luminescence peaks were observed, which have some influence on the I-V curve of RTS from the point of view of the energy gap, and the splitting became more apparent with applied pressure. Full width at half maximum broadening could also be observed.     

Theoretical study on the complexes of He, Ne and Ar

This paper investigates the effect of basis sets through the potential energy curves(PECs) of six rare gas complexes He 2,Ne 2,Ar 2,He-Ne,He-Ar,and Ne-Ar.The coupled cluster singles and doubles method with perturbative treatment of triple excitations,doubly augmented basis sets of d-aug-cc-pVQZ,bond functions,and basis set superposition errors are employed.The diffuse function is more effective than the polarization function on describing the dissociation energy.The PECs are fitted into analytical potential energy functions(APEFs) using three expressions.It is found that all the expressions are suitable for describing the complexes of rare gases.Based on these APEFs,the spectroscopic parameters are calculated and the results are compared with the theoretical and experimental data available in the literature.     

GaH(X1Σ+)自由基的光谱常数与分子常数研究

采用内收缩多参考组态相互作用(MRCI)方法和系列相关一致基aug-cc-pVnZ对GaH (X1Σ+)自由基的光谱性质进行了研究. 通过与实验结果的比较, 发现在aug-cc-pV5Z基组、且考虑相对论修正时得到的De, Re和ωe与实验结果较为一致. 在这一基组下对GaH(X1Σ+)自由基的势能曲线进行了计算、并将计算结果拟合成了Murrell-Sorbie函数, 由此得到的光谱常数(ωeχe, αe和 Be)也与实验结果较为相符. 以得到的解析势能函数为基础, 通过求解双原子分子核运动的径向Schrödinger方程, 找到了J = 0时该自由基存在的全部27个振动态. 针对每一振动态, 还计算了它的振动能级、经典转折点、转动惯量和离心畸变常数, 文中的大部分分子常数均属首次报导.     

RAP晶体积分衍射效率的实验研究

以北京同步辐射装置的4B7中能束线为光源,对RAP（邻苯二甲酸氢銣）晶体的积分衍射效率进行了实验标定.结果显示:晶体在不同能量段都得到了完整的衍射峰,扭摆曲线的光滑性和对称性较好,在偏离布喇格角以后衍射效率都迅速下降到本底量级.在2.1~5.8 keV范围内,晶体的积分衍射效率在1×10－4rad左右.     

光谱辐射照度标准灯的数据插值与曲线拟合方法研究

介绍了多种插值方法与曲线拟合方法,对光谱辐射照度标准灯在所需波长间隔上的照度值进行内插运算,包括这些方法的模型建立、参数计算及误差分析过程。得到了效果较好的插值方法及分段普朗克曲线拟合模型,其中拟合模型较好地体现了光谱辐射照度标准灯的灯丝发射率及灯壳的光谱透射比。最终结果的相对偏差接近国家级计量院提供标准灯的最佳不确定度0.2%。     

Design and construction of the first prototype ionization chamber for CSNS and PA beam loss monitor (BLM) system

Design and construction of the first prototype ionization chamber for CSNS and Proton Accelerator (PA) beam loss monitor (BLM) system is reported. The low leakage current (<0.1 pA), good plateau (≈800 V) and linearity range up to 200 Roentgen/h axe obtained in the first prototype. All of these give us good experience for further improving the ionization chamber construction.