Ce掺杂6H-SiC电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,对未掺杂及Ce掺杂6H-SiC的电子结构和光学性质进行理论计算.计算结果表明,未掺杂6H-SiC是间接带隙半导体,其禁带宽度为2.045 eV,掺杂Ce元素,带隙宽度下降为0.812 eV.未掺杂6H-SiC在价带的低能区,Si-3s、C-2s电子轨道对态密度的贡献较大,在价带的高能区,主要是由Si-3p、Si-3s、C-2p态组成.掺杂后Ce原子的4f轨道主要贡献在导带部分,掺杂后电导率提高.未掺杂时,只有一个介电峰,是价带电子跃迁到导带电子所致,掺杂后有两个介电峰,第一个介电峰是由于导带电子跃迁到Ce原子4f轨道上产生,第二个峰是价带电子向导带电子跃迁产生.未掺杂6H-SiC,在能量为10.31 eV处吸收系数达到最大值,掺杂后在能量为6.57 eV处,吸收系数达到最大值.     

Ce掺杂CrSi2电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,对未掺杂及Ce掺杂CrSi2的电子结构和光学性质进行理论计算。计算结果表明,未掺杂CrSi2是间接带隙半导体,其禁带宽度为0.392 eV,掺杂Ce元素,仍然是间接半导体,带隙宽度下降为0.031eV。未掺杂CrSi2在费米能级附近主要由Cr-5d、Si-3p态贡献。Ce掺杂后在费米能级附近主要由Cr-5d轨道,Ce-4f轨道,C-2p,Si-3p轨道贡献,掺杂后电导率提高。未掺杂CrSi2有两个介电峰,掺杂后,只有一个介电峰。未掺杂CrSi2,在能量为6.008处吸收系数达到最大值,掺杂后在能量为5.009eV处,吸收系数达到最大值。     

C_2H_2分解爆轰的实验研究

在长30m,公称直径(Dg)分别为50、65、80和100mm的管道内,进行了C_2H_2分解爆轰实验。用O_2—C_2H_2爆轰波引爆C_2H_2,测量了管道内的爆轰压力,及在管道端面上的反射压力。与以前认为在管径500mm管道内不会出现自持的C_2H_2分解爆轰的意见相反,在这样的管道内也发生了C_2H_2分解炸轰。在管端测到了1700kg/cm~2的异常高压,并对数次异常高压的破坏威力作了记录。     

氢离子轰击对TiC膜结构及界面影响的研究

本文研究荷能氢离子轰击对TiC薄膜的结构及其界面的影响。氢离子源为5A的脉冲离子注入器,能量25keV,脉冲宽度20ms。样品经轰击后发现。与受相同辐照的45~#钢样品相比,TiC薄膜表面无明显的损伤;TiC薄膜内的氢含量较高;薄膜的织构消除;TiC薄膜与基体间的结合力有明显提高。     

1-甲基环氧乙烷-1-丙炔醚的结构测定及其核磁图谱

以¹H-NMR谱和¹³C双自旋回波的APT脉冲序列测定文献中尚未曾发表的化合物HC≡C-CH₂-O-C^CH₃-_O-CH₂文中计算了峰强度与脉冲间隔时间的关系,讨论了各谱线的相位并区分出-CH₃、-CH₂、-CH和季碳。     

依文思蓝-溴酸钾催化体系测定亚硝酸根

本文研究了亚硝酸根的一个新指示反应。在稀磷酸溶液中,依文思蓝-溴酸钾的氧化还原反应受亚硝酸盐催化使依文思蓝褪色。测定灵敏度为7.8×10-11g/mL亚硝酸态氮[当lg（Ao/A）=0.001 b=l cm)。测定范围0—3.5μg NO2/25mL,相对标准偏差1.64%。已用于测定自来水和唾液中的NO2-。     

EXAFS spectroscopy,from one perspective

Summary Extended X-ray absorption fine-structure (EXAFS) spectroscopy has been demonstrated to be a most useful probe of short-range interatomic correlations in a wide variety of materials. The theory of the EXAFS is presented in its simplest form so as to provide the basis for a discussion about the kind and quality of the structural information which can be extracted from EXAFS data. The adequacy of several of the approximations commonly incorporated in this theory is examined with emphasis on those areas of the theory which bear most directly on the analysis of EXAFS data. Paper presented at the Workshop on ?EXAFS Data Analysis in Disordered Systems?, held in Parma, October 5–7, 1981.     

铝粉点火微观机理的光谱研究

 铝粉是一种含能高的材料,它被广泛地添加到含能材料中。利用3台单色谱仪和OMA谱仪等多种谱仪技术,研究了铝粉在几种不同环境下的快速反应微观特性。研究表明：铝粉冲击波点火的临界条件和铝粉的物理状态相关。微米铝粉点火的临界温度为2 100 K,它接近Al₂O₃的熔化温度。它表明,在空气中容易氧化的微米铝粉点火,必须使铝粉表面的氧化层熔化。在气相反应中,微米铝粉和氧的反应是主要的;和水的反应是次要的。减小微米铝粉的颗粒尺寸,可以明显提高快速反应温度。 含铝复合燃料中的液体燃料反应后的铝粉才能参与反应;铝粉添加至气相反应介质后将明显提高反应温度。     

Energy transfer in hyperthermal Xe-graphite surface scattering

The scattering of a hyperthermal Xe from a graphite (0001) surface has been studied using a molecular beam-surface scattering technique and molecular dynamics (MD) simulations. The angular and velocity distributions of scattered Xe atoms were measured at incidence energies from 0.45 to 3.5 eV, three incidence angles of 15°, 35° and 60° and the surface temperatures of 300 K and 550 K. The observed time-of-flight spectra exhibit a sharp velocity distribution with only one velocity component, which is ascribed to the direct inelastic scattering process. The angle-resolved energy ratios of the mean final translational energy over the mean incidence energy E_f/E_i agree well with those predicted based on the assumption of the conservation of the momentum parallel to the surface. The Hard-Cube model, where the mass of the cube is approximately 310 u, has reproduced the angle-resolved flux distributions of scattered Xe atoms. In the Hard-Cube model almost 80% of the normal component of the incidence translational energy is found to be lost in collision. The MD simulations reproduce well the experimental results by using the Brenner potential for intralayer C atoms and a Lennard-Jones potential for interlayer C–C pair interactions.     

CRT显示器稳定性实验研究

用屏幕色度计对一台SONY-G520显示器的显色特性进行了测量,研究了其开机稳定性和短、中、长期内的色差及色度偏差。实验结果表明,开机后,显示器的亮度Y和色度x,y分别可在2h,30min和1h达到相对稳定状态,且在达到相对稳定后,在短、中、长期内的平均色差分别为0.0611,0.1469和1.2536CIELAB色差单位;在中期内,Y,x,y,L,a,b的平均偏差分别为0.0663,0.0008,0.0015,0.0695,0.4740和0.1766。通过对显示器稳定性的测量,为在对比度敏感测量和色貌模型、图像质量、图像感知模型评价等研究领域中用显示器进行实验研究奠定了基础。