Surface rumpling of cubic CaTiO3 from density functional theory

In this paper, the structure of cubic CaTiO3 （001） surfaces with CaO and TiO2 terminations has been studied from density functional calculations. It has been found that the Ca atom has the largest relaxation for both kinds of terminations, and the rumpling of the CaO-terminated surface is much larger than that of TiO2-terminated surface. Also we have found that the metal atom relaxes much more prominently than the O atom does in each layer. The CaO-terminated surface is slightly more energetically favourahle than the TiO2-terminated surface from the analysis of the calculated surface energy.     

模拟退火法在吸收薄膜的椭偏反演算法中的应用

将一种广泛用于求解复杂系统优化问题的技术－－模拟退火法－－用来求解椭偏反演方程。首先假设一个薄膜模型，计算出其相应的椭偏参数（Ψ，Δ）的值，在这个计算值的基础上加入不同标准偏差的高斯噪声；然后将加入噪声后的值（Ψm,Δm)作为模拟的测量数据，采用模拟退火算法进行求解，验证得知这种方法求得的薄膜参数很接近于假设的薄膜模型参数的真值，与其他文献的报道结果一致，而且在扩大搜寻范围时，仍然可以得到准确解，从而证明了该方法的可行性以及有效性。     

利用微悬臂梁表面应力研究聚N-异丙基丙烯酰胺分子的构象转变

提出了一种基于微悬臂梁传感技术研究大分子折叠/构象转变的新方法.通过分子自组装的方法将热敏性的聚N-异丙基丙烯酰胺(PNIPAM)分子链修饰到微悬臂梁的单侧表面，用光杠杆技术检测温度在20—40℃之间变化时由于微悬臂梁上的PNIPAM分子在水中的构象转变所引起的微悬臂梁变形.实验结果显示：在升温过程中，微悬臂梁的表面应力发生了变化并且导致微悬臂梁产生了弯曲变形，这个过程对应着微悬臂梁上的PNIPAM分子从无规线团构象到塌缩小球构象的构象转变.在降温过程中，微悬臂梁发生了反方向的弯曲变形，这对应着PNIPA 关键词： 构象转变 聚N-异丙基丙烯酰胺分子链 表面应力 微悬臂梁     

Study on anti-emission materials for non-emitting grid applications in microwave power tubes

Hafnium and platinum were deposited onto molybdenum grids by ion-beam assisted deposition method. Electron-emission characteristics from molybdenum grids with Hf and Pt films, which were contaminated by active electron-emission substances (Ba, BaO) of the cathode, were measured using analogous diode method. The surfaces of grids were analyzed by X-ray diffraction. The results revealed that the reaction between BaO and Hf formed BaHfO₃ compound, which greatly reduced the accumulation of BaO on the surface and accordingly decreased grid emission. In contrast, Ba were formed by the decomposition of BaO on the surface of Pt film under high temperature and re-evaporated from its surface, which reduced the active electron-emission substances on the surface of the grid and effectively restrained grid emission. Their mechanisms for grid-emission suppression are discussed and a good method to develop new grid-coating materials is suggested.     

Preparation and characterization of ZnO nanorods from NaOH solutions with assisted electrical field

ZnO naorods on ZnO-coated seed substrates were fabricated by solution chemical method from Zn(NO₃)₂/NaOH under assisted electrical field. The working mechanism of electrical field was analyzed and the factors affecting the rod growth such as potential, precursor concentration and growth temperature were elucidated. The structural and optical properties are characterized by SEM, TEM, XRD, HRTEM and UV-vis. The results indicated that the nanorods have wurtzite structure without electrical field and are primarily of zincite structure under electrical field; when the electrical field is 1.1-1.3 V, not only the elevation of ion diffusion and adsorption lower the crystallite/solution interfacial energy and then the crystal nucleation barrier by increasing charge intensity, but also the production of H⁺ through oxidation of OH⁻ increases properly the degree of solution supersaturation near the substrate, and thus lowers the activation energy. Both the two processes do favor to rod growth. With increasing precursor concentration in this system, the average diameter and length of ZnO nanorods increase, leading to decreasing of optical transmittance. The maximum rod growth rate at given concentration of Zn²⁺ occurs at a specific temperature.     

求解比例延迟微分方程的Rosenbrock方法的渐近稳定性(英文)

本文讨论了一类Rosenbrock方法求解比例延迟微分方程,y′(t)=λy(t) μy(qt),λ,μ∈C,0     

二维非正交坐标斜方格金属光子带隙结构

金属光子带隙结构在高能加速器、微波真空电子器件和太赫兹波源等方面具有重要的应用前景.基于实空间传输矩阵理论，详细研究了非正交坐标系下二维斜方格金属光子带隙结构，给出了计算横电模、横磁模完全带隙结构的一般公式，并分析了填充系数、任意斜角及金属柱横截面对带隙结构的影响.计算结果在退化为正方格情况下时，与其他方法的计算结果取得很好的一致. 关键词： 光子晶体 金属光子带隙 传输矩阵法 微波真空电子器件     

Dynamics of kinks in biological membranes

kinks created in a biological membrane by the interaction with a movable bead. We arrive at the evolution equations for both the bead and the membrane, whence we conclude that the force exerted on the bead by a fixed membrane points in the direction along which the curvature of the membrane is more concentrated. This is the first step towards understanding the basic mechanism behind the dynamics of protein aggregation which takes place on biological membranes. Received November 6, 2001 / Published online February 4, 2002     

基于LiCo0.8M0.2O2 (M=Ni,Zr)薄膜的全固态薄膜锂电池

用射频磁控溅射结合传统退火的方法制备LiCo0.8M0.2O2 (M=Ni,Zr)阴极薄膜．X射线衍射、拉曼光谱、扫描电子显微镜等手段表征了不同掺杂的LiCo0.8M0.2O2薄膜．结果显示,700℃退火的LiCo0.8M0．2O2薄膜具有类似α-NaFeO2的层状结构．通过对不同掺杂锂钴氧阴极的全固态薄膜锂电池Li／LiPON／LiCo0.8M0.2O2的电化学性能研究表明,电化学活性元素Ni的掺杂使全固态电池具有更大的放电容量(56μAh／cm2μm),而非电化学活性元素Zr的掺杂使全固态电池具有更好的循环稳定性．