不饱和类卡宾H_2C＝CNaX(X=F,Cl,Br)的密度泛函理论研究

采用密度泛函理论方法,在B3LYP/6-311+G(d,p)水平上研究了不饱和类卡宾H2C=CNa X(X=F,Cl,Br)的结构.结果表明,不饱和类卡宾H2C=CNa X(X=F,Cl,Br)各有2种平衡构型,其中具有三元环结构的构型能量低,是其存在的主要构型.预言了最稳定构型的振动频率和红外强度.计算得到了最稳定构型分子内氢迁移反应的过渡态.讨论了卤原子对不饱和类卡宾H2C=CNa X的影响.     

La$_{{1-x}}$Sr$_{x}$TiO$_{3}$ 薄膜的高通量 X 射线衍射

高通量材料合成方法和高通量材料表征手段区别于传统低效率的 "试错法"材料发展方法, 极大地加速了材料科学的变革和发展. 通过设计程序进行了高通量 X 射线衍射实验, 在保证数据分辨率条件下, 高效地表征了 La$_{1-x}$Sr$_{x}$TiO$_{3}$ 薄膜上多个数据位点的晶体结构, 验证了其成分的连续变化性质, 为后续开展更多类型的高通量 X 射线衍射实验提供了指导.     

X射线反射强度与温度的关系

由实验测出铝的X射线反射谱线的强度,得到其反射强度随温度变化的曲线,并从理论上对实验结果作了分析,得到了X射线反射强度随温度的增高而减弱,而谱线的锐度却不随温度升高而受到损失的结论.     

Study of an athermal infrared dual band optical system design containing harmonic diffractive element

A harmonic diffractive element (HDE) is first successfully introduced to the athermal system of infrared dual band in this paper. In this system, there are only three lens and two materials, silicon and germanium. When the temperature ranges from -70℃ to 100℃ in the dual band,it can simultaneously accomplish the rectification of the longitudinal aberration in the big field of view, as well as the wave front aberration less than 1/4 wavelength. Modulation transfer function of dual band approaches or attains the diffraction limit. The calculation results show that the spectral properties of the HDE are between refractive and diffractive elements, so we can design a simple dual-band and athermal optical system by selecting the thickness and central wavelength of the HDE exactly. Compared with a conventional refractive optical system, this system not only reduces the demand for high technical levels, but also has a compact structure, few elements, a high transmittance better aberrations performances and athermal character. At the same time, the use of the HDE also offers a new element for the infrared optics design.     

Studies on the Crystallization Properties and Morphology Structure of the Cationic Dyeable Polypropylene Fibers

The crystallization properties and morphology structure of the cationic dyeable polypropylene fibers which were produced by the blending spinning method were studied by making use of X-ray and scanning electron microscopy (SEM). It comes to the conclusions that the larger the crystallite size in the fibers is , the better the dycable properties of the fibers are and there is a little compatibility between the dyeable agent and polypropylene resin. And the dye-uptake of the fibers may be up to 90% because the dyeable agent can uniformly be scattered in polypropylene.     

SnO2·X电热膜的制备和在家庭电暖气加热器中的应用

以SnCl4·5H2O为原料,真空溅射法制备SnO2·X电热膜。研究了元素搀杂量及镀膜温度对电阻及电阻温度特性的影响。家庭电暖气加热器的应用实验结果表明,SnO2·X膜热效率高,功率密度达到42W·cm-2.     

反应气压对生长金刚石膜的影响

实验以CH3CH2OH和H2 为气源,用微波等离子体CVD法沉积金刚石膜,并用金相显微镜(×400)观察其沉积效果,X射线衍射仪表征其成膜质量,最后分析反应气压对金刚石膜的影响.     

Cu基形状记忆合金中析出相的研究

本文利用 X 射线衍射分析、透射电镜等技术,研究了几种热处理制度下 Cu—27.84 Al—3.82 Ni(at%)合金中析出相;用会聚束(CBED)技术测定了析出相与马氏体的取向关系。结果表明:分级处理试样中析出相 r_2是复杂立方结构,晶格参数 a=0.87nm;大量弥散的折出相引起共格应变场,从而使分极处理试样 X 射线衍射峰型宽化;r_2与2H 马氏体的取向关系为;[00]2H‖[001]_r_2,(10)_(2H)‖(300)_r_2。