机械臂刚体运动防冲突角度最优输出方法

机械臂刚体运动防冲突角度输出方法存在防冲突角度控制精度低、易出现碰撞的弊端;因此,提出一种机械臂刚体运动防冲突角度最优输出方法。利用拉格朗日法获取机械臂被动关节动力学方程式,通过振幅控制方法控制机械臂被动关节位置,实现对机械臂刚体运动防冲突角度的最优输出。实验结果表明,相对于传统方法,控制下的机械臂刚体运动防冲突角度输出值较优,控制过程中位置误差与稳态误差较小,有效实现了机械臂运动的防碰控制。     

Molecular Dynamics Simulation of HIV-1 Integrase Dimer Complexed with Viral DNA

The biological function of HIV‐1 integrase (IN) is to integrate viral DNA into the host cell chromosome, and the specific binding of IN with viral DNA is a precondition for IN to function correctly. Beforehand, the binding mode of IN dimer (IN₂) with the 27 bp segment of viral DNA before 3′ processing (3′‐P) was obtained via a molecular docking method. Based on the binding mode, the aim of this article was to explore the changes of motive mode and correlative motion for the IN₂ and DNA systems after their binding through dynamical cross‐correlation map (DCCM) and principal component analysis (PCA). Finally, solvent effect during the association was analyzed briefly. The results show that there is a significantly increased positive correlation in the interface region between IN₂ and viral DNA, and some obvious motive mode changes of the two systems (IN₂ and DNA) were also observed after their binding. It was found that water molecules played an important role in the recognition between IN₂ and viral DNA through analyzing the water‐mediated hydrogen bonds.     

High-pressure investigations under CO/H2 of rhodium complexes containing hemispherical diphosphites

The two rhodium complexes [Rh(acac)(L(R))] (L(R)=(S,S)-5,11,17,23-tetra-tert-butyl-25,27-di(OR)-26,28-bis(1,1'-binaphthyl-2,2'-dioxyphosphanyloxy)calix[4]arene; 6: R=benzyl, 7: R=fluorenyl), each based on a hemispherical chelator forming a pocket about the metal centre upon chelation, are active in the hydroformylation of 1-octene and styrene. As expected for this family of diphosphanes, both complexes resulted in remarkably high selectivity towards the linear aldehyde in the hydroformylation of 1-octene (l/b≈15 for both complexes). Linear aldehyde selectivity was also observed when using styrene, but surprisingly only 6 displayed a marked preference for the linear product (l/b=12.4 (6) vs. 1.9 (7)). A detailed study of the structure of the complexes under CO or CO/H(2) in toluene was performed by high-pressure NMR (HP NMR) and FT-IR (HP-IR) spectroscopies. The spectroscopic data revealed that treatment of 6 with CO gave [Rh(acac)(CO)(η(1)-L(benzyl))] (8), in which the diphosphite behaves as a unidentate ligand. Subsequent addition of H(2) to the solution resulted in a well-defined chelate complex with the formula [RhH(CO)(2)(L(benzyl))] (9). Unlike 6, treatment of complex 7 with CO only led to ligand dissociation and concomitant formation of [Rh(acac)(CO)(2)], but upon addition of H(2) a chelate complex analogous to 9 was formed quantitatively. In both [RhH(CO)(2)(L(R))] complexes the diphosphite adopts the bis-equatorial coordination mode, a structural feature known to favour the formation of linear aldehydes. As revealed by variable-temperature NMR spectroscopy, these complexes show the typical fluxionality of trigonal bipyramidal [RhH(CO)(2)(diphosphane)] complexes. The lower linear selectivity of 7 versus 6 in the hydroformylation of styrene was assigned to steric effects, due to the pocket in which the catalysis takes place being less adapted to accommodate CO or larger olefins and, therefore, possibly leading to facile ligand decoordination. This interpretation was corroborated by an X-ray structure determination carried out for 7.     

茶多酚的表面性能研究

通过分别测试二碘甲烷、水、甲酰胺等液体在茶多酚上的接触角,并根据van Oss-Chaudhury-Good的组合理论对茶多酚的表面性能进行研究。结果表明茶多酚的表面能随着茶多酚的含量增加而提高;且随着茶多酚的含量增加,儿茶素类物质即含酚羟基类物质的含量进一步增加,形成氢键的几率进一步增大,导致分子之间作用力和氢键力加大,因而使茶多酚的表面能提高。     

视线追踪系统中注视点估计算法研究

针对非接触式视线跟踪系统中注视点估计算法鲁棒性差的问题,提出一种基于角度映射的注视点估计算法。首先,根据人眼特性及视觉成像原理,瞳孔中心相对于角膜反射光斑的位置与注视点相对于红外光源的位置之间具有一定的角度映射关系,据此估计出注视点近似位置。然后,在眼球模型结构的基础上分析了眼球角膜曲面对注视点造成的偏差,通过弧长对误差进行补偿。最后,利用非线性多项式模型对眼球视轴和光轴之间的偏差进行拟合,得到最终的视线落点。实验证明,该系统具有较高的精度和自由度,在水平和垂直方向上最大误差均小于1 cm。     

含硫醚结构均苯型聚酰亚胺的合成及表征

以4,4′-二氨基二苯硫醚(SDA)和均苯四酸酐(PMDA)为原料,通过溶液缩聚法-热酰亚胺/化学酰亚胺化的方法制备了一种含硫醚结构均苯型聚酰亚胺.利用高级旋转流变仪建立了在线跟踪反应进程的方法,采用热失重分析仪研究反应条件对热酰亚胺化及化学酰亚胺化法的影响,这些方法的建立为进一步制备高性能的聚酰亚胺提供有效的实验手段.采用小角激光光散射法、红外光谱、元素分析、接触角仪、DSC等方法对聚合物的结构与性能进行表征.结果显示,硫醚结构的引入,可有效改善聚合物薄膜的表面性能,其与铜箔之间的粘附功明显大于传统聚酰亚胺,在无胶挠性线路板应用方面显示出较好的应用前景.所获聚合物的Mw为(6.7±1.6)×104,分解温度均高于560℃;DSC的结果显示所制备的两种酰亚胺化聚合物均具有较高的玻璃化转变温度,相比之下,化学酰亚胺化更有利于获得高酰亚胺化程度的聚合物,产物的玻璃化转变温度也更高.     

原向反射屏剩余发散角测试

 提出了玻璃微珠原向反射屏的剩余发散角概念和测试方法：将激光光束投射到原向反射屏,其反射回的激光光束成像到硫酸纸（接收屏）上。利用相机拍摄不同距离下原向反射屏的成像光斑,得到光斑的图像数据;并处理相应图像数据,计算出剩余发散角。通过实验测得所用的玻璃微珠原向反射屏的剩余发散角为0.447 8°。     

投影的约化极小模和空间的夹角

Let M and N be nonzero subspaces of a Hilbert space H, and PM and PN denote the orthogonal projections on M and N, respectively. In this note, an exact representation of the angle and the minimum gap of M and N is obtained. In addition, we study relations between the angle, the minimum gap of two subspaces M and N, and the reduced minimum modulus of （I - PN）PM,     

A completely iterative method for the infinite domain electrostatic problem with nonlinear dielectric media

We present an iterative method for the solution of the exterior all-space electrostatic problem for nonlinear dielectric media. The electric potential is specified on interior boundaries and the electric field decays at infinity. Our approach uses a natural variational formulation based on the total energy of the nonlinear dielectric medium subject to boundary conditions. The problem is decomposed into an exterior calculation and an interior calculation with the boundary-specified electric potentials imposed as constraints between them. Together, these enable an iterative method that is based on the variational formulation. In contrast to direct solution of the electrostatic problems, we avoid the construction, storage and solution of dense and large linear systems. This provides important advantages for multiphysics problems that couple the linear electrostatic Poisson problem to nonlinear physics: the latter necessarily involves iterative approaches, and our approach replaces a large number of direct solves for the electrostatics with an iterative algorithm that can be coupled to the iterations of the nonlinear problem. We present examples applying the method to inhomogeneous, anisotropic nonlinear dielectrics. A key advantage of our variational formulation is that we require only the free-space, isotropic, homogeneous Greens function for all these settings.