薄膜外延生长的计算机模拟

以Cu膜为例，用Monte-Carlo算法模拟了薄膜生长的随机过程，并提出了更加完善的模型.在合理选择原子间相互作用计算方法的基础上，考虑了原子的吸附、在生长表面的迁移及迁移所引起的近邻原子连带效应、从生长表面的脱附等过程.模拟计算了薄膜的早期成核情况以及表面粗糙度和相对密度.结果表明，随着衬底温度的升高或入射率的降低，沉积在衬底上的原子逐步由离散型分布向聚集状态过渡形成一些岛核，并且逐步由二维岛核向三维岛核过渡.在一定的原子入射率下，存在三个优化温度，成核率最高时的最大成核温度Tn、薄膜的表面粗糙度最低 关键词： Monte-Carlo算法 计算机模拟 薄膜生长     

微波谐振腔Q值对磁激子振幅不稳定态阈值的影响

基于Safonov和Yamazaki所发展的激励自旋波非线性辐射衰减的理论［J. MMM. 161 (1996 ) 275］, 考虑磁激子与磁激子以及磁激子与光子的两种非线性相互作用过程，计算了微波谐振腔Q值对磁激子振幅不稳定态阈值的影响，结果与实验数据基本一致. 关键词： 磁激子 谐振器 铁磁体     

聚乙烯基咔唑与Alq3混合薄膜的发光性能与能量传递过程

研究了Alq3与聚乙烯基咔唑(PVK)按不同比例的混合体系制备的薄膜的发光特性.通过对混合薄膜的吸收光谱、激发光谱和发射光谱的分析，研究了PVK与Alq3之间的 能量传递规律.当Alq3与PVK的质量比为1∶7时，能量传递效率最高.用一个由单链模 型扩展到包括杂质的哈密顿量对实验进行模拟，发现该模型能够较好地解释有关的实验结果. 关键词： 吸收光谱 激发光谱 发射光谱 能量传递     

A New Triterpene from the Orchid Pholidota yunnanensis

A new triterpene, 25-methylenecyclopholidonyl p-hydroxy-trans-cinnamate, was isolated from a orchid Pholidota yunnanensis. The structure elucidation and ^1H, ^13C-NMR assignments were achieved by spectral and chemical method.     

Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

Baker＇s Yeast Mediated Reduction of Optically Active Diketone

Baker‘s yeast mediated reduction of optically active diketone is described. The two keto groups are efficiently differentiated and the ee value of the recovered material is considerably raised. It affords highly optically active key intermediates efficiently for the synthesis of natural polyhydroxylated agarofuran products.     

多小波子空间上的单小波表示

本文在较弱的条件下,建立了2重多小波子空间与单小波子空间的关系.即由2重多小波构造出单小波.一方面,这种单小波的平移伸缩与2重多小波的平移伸缩生成的子空间是完全相同的;另一方面,它具有插值性.因此通过构造出的单小波建立了多小波子空间上的Shannon型采样定理.     

辐射加热金X光再发射时间测量

利用星光Ⅱ三倍频激光打双盘靶，研究了辐射加热材料的Ｘ光发射时间。激光脉冲能量４０～６０Ｊ、脉冲宽度６００～７００ｐｓ。通过两台时间关联的亚千Ｘ光能谱仪分别监测双盘靶初、次级发射Ｘ光谱，给出了辐射加热次级Ｘ光再发射时间。     

A jet appearing when a black hole event horizon touches the rindler horizon

The Hawking effect of a nonuniformly rectilinearly accelerating Kinnersley black hole is studied. Its horizons are rotationally symmetric. Its Hawking temperature depends not only on the time, but also on the polar angle. When a Kinnersley black hole touches its Rindler horizon, the Hawking temperature at the contact point is reduced to zero. But at the opposite pole of the black hole, the Hawking temperature increases rapidly. A jet appears as a tail of the accelerating black hole.     

Variational treatment for the dynamical pseudo Jahn-Teller system

We present a variational treatment for the E × e pseudo Jahn-Teller system. Through canonical transformation the electron and phonon states are decoupled. An analytical form is obtained for the ground state energy by scaling transformation. Including both the dynamical displacement of phonon modes and the softening of phonon frequency, this approach yields fairly accurate results for the ground state energy. The energy splitting and Ham's reduction factor are calculated, which also generates fairly good results compared with other perturbation results. We argue that our variational wave function is valid for the weak and intermediate coupling range.