First-Principles Prediction of High-Pressure Phase of CaC6

The lattice dynamics of rhombohedral GaG6 is studied as a function orpressure to probe Its high pressure phase with low superconducting transition temperature using the density functional liner-response theory. The pressureinduced phase transition in CaC6 is attributable to the softening transverse acoustic （TA） phonon mode at the zone boundary X （0.5, 0.0, 0.5） point. The high pressure phase is then explored by performing fully structural optimization in the supercell which accommodates the atomic displacements corresponding to the eigenvectors of the unstable mode of TA（X）. The high-pressure phase is predicted to be a monoclinic unit cell with space group P21/m.     

Single-Proton Pickup Reaction of the Halo Nucleus ^6He on a ^9Be Target at 25 MeV/nucleon

The inclusive differential cross sections of the ^7 Li nucleus in a reaction induced by ^6He on a ^9Be target are measured at an incident energy of 25 MeV/nucleon. Finite-range distorted-wave Born approximation calculations suggest that these ^7 Li particles are formed in a direct single-proton pickup reaction ^9Be（^6He,^7 Li）^8Li. The experimental data can be well reproduced by taking into account of the contributions of both the ground states and the first excited states of ^7Li and ^8Li.     

Light Irradiation through Small Particles and Its Applications for Surface Nanostructuring in Near Field

We investigate the light scattering through small particles and its applications in nanostructuring, such as nanobumping, nanopatterning and dry laser cleaning. The theoretical calculation based on Mie theory provides an exact solution for sphere cavity resonance and plasmon resonance, which are two mechanisms for dielectric and metallic particles assisted surface nanostructuring in near field. The experimental results indicate that nanobumps on glass surface and subwavelength holes array on silicon surface can be formed without cracks with the self-assembly of 1 μm silica particle mask under laser irradiation. It is also found that the scattering wave by 40 nm gold particles can propagate 200 times away in terms of particle radius as recorded by photoresist under the UV light irradiation. Meanwhile, dry laser cleaning of 40nm gold particle on silicon wafer is demonstrated at plasmonic resonance frequency. The total cleaning efficiency is estimated to be 80%.     

含冠醚结构单元吲哚啉螺苯并吡喃的时间分辨光谱

采用纳秒激光光解技术研究了含冠醚螺吡喃化合物（简称ＢＮ－ＢＩＰＳ）的光致变色过程．结果表明：ＢＮ－ＢＩＰＳ是经一激发单线态生成醌式结构的部花菁Ｂ；在乙腈溶液中，激发生成的部花菁Ｂ的瞬态吸收有较明显的衰减，同时４４０ ｎｍ左右有新的瞬态吸收生成；当在ＢＮ－ＢＩＰＳ的乙腈溶液中加入高氯酸钠后，激发生成的部花菁Ｂ的瞬态吸收衰减加快， ４４０ ｎｍ左右的瞬态吸收生成也同步加快．但在ＢＮ－ＢＩＰＳ相对应的不含冠醚的螺吡喃ＢＩＰＳ中，未观察到异构体Ｃ的生成．     

黄腐酸与Cu(Ⅱ)、Cr(Ⅵ)的配合作用

关于腐植酸与金属的配合作用的研究已有不少报导,但至今对腐植酸的结构还不清楚,一般认为它是兼有邻苯二甲酸和水杨酸型的大分子化合物。至于应用上如何选择各种腐植酸产物也无充分依据。我们用凝胶过滤法考察了黄腐酸分子大小对配合量     

有心圆锥曲线的一条重要性质

平面解析几何有一个著名的定值问题:“若O是椭圆x~2/a~2 y~2/b~2=1的中心,A、B是椭圆上两动点.满足∠AOB=90°,则|OA|~2/1 |OB|~2/1为定值”。 有人已经推广到:椭圆上有三点A、B、C且∠AOB=∠BOC=∠COA=120°.则:|OA|~2/1     

一类非均质楔形直杆的振动分析

本文从一类变系数二阶微分方程的一个通解入手,分析了一类非均质楔形直杆的纵向自由振动,得到了这类直杆在一种边界条件下的频率方程和振型函数.     

2-硅萘与甲醛及二苯甲酮环加成反应的理论研究

采用密度泛函理论(DFT)方法在B3LYP/6-311G**水平研究了2-硅萘与甲醛和二苯甲酮的[2+2]和[4+2]杂环加成反应的微观机理、势能剖面,考察取代基和苯溶剂对反应势能剖面的影响.计算结果表明,所研究反应均以协同但非同步的方式进行.羰基C原子上的苯取代基不利于反应的进行,而2-硅萘分子中Si原子上的C(CH3)3,CCl3及NH2取代基均有利于反应的进行.苯溶剂对所研究反应的势能剖面影响不大.[2+2]反应比相应的[4+2]反应容易进行,此结果与实验一致.     

中波红外景象投影光学系统消热差设计

针对红外成像系统性能测试与评估的应用需求,设计了一套基于数字微镜器件的消热差的中波红外景象投影光学系统.探讨了红外视景仿真用投影光学系统的像差特性和设计方法,并对投影系统的无热化进行了分析.采用分光板和补偿板方案,解决了大相对孔径条件下投影系统的远心照明分光和像差平衡问题,提高了分辨率和均匀性,增大了视场.系统由远心投...     

唇周紫绀新生儿与正常新生儿血氧饱和度对比分析

为了探讨新生儿出现唇周紫绀与缺氧关系，选择了两组新生儿（唇周紫绀组及正常组各101例），进行了血氧饱和度检测，结果表明无论是周紫绀或是正常新生儿，只要其呼吸频率＜600bpm，血氧饱和度均大于等于94％，将这两组新生儿血氧饱和度进行对比检测，证实两组均数无显著性差异（P＞0．05），提示仅有唇周紫绀不能作为缺氧依据。