受压矩形截面柱在塑性阶段的缺陷敏感性分析

对加载到塑性阶段的矩形截面柱，本文研究了几何缺陷对屈曲的影响，在分析中考虑了弹性卸载的影响，求出了荷载、缺陷大小及分叉模态幅值之间的精确渐近关系式，结果表明在塑性阶段最大承载力对小缺陷非常敏感，但当缺陷大小达到某一值后，可能不存在最大载荷。     

MSINDO study of water adsorption on NiO surfaces

The dissociation of water adsorbed on the surface of NiO was investigated by using the semi-empirical SCF MO method MSINDO. Simulations were based on embedded cluster models representing the (100) surface, with and without a monatomic step. The angle formed between the metal adsorption site and the O–H bond associated with water has been found to be critical to the energetics of the dissociation process. Based on this criterion, it was shown that water dissociation is favorable on the stepped surface, but highly unlikely on the planar surface. In addition, the activation energy required for water dissociation in a monatomic NiO step was considerably lower than for dissociation at the planar surface. The high activation energy associated with water dissociation on the planar surface is attributed to the rigidity of the NiO lattice. Dedicated to Prof. K. Jug in honor of his 65th birthday     

一类新型荧光化学敏感器形成激基缔合物的温度效应

对一类具有分子识别功能的荧光分子敏感器化合物，在水溶液中形成的分子内激基缔合物的温度效应进行了研究。进而提出该类化合物在水溶液中进行了内单体和分子内激基缔合物转化的机制。通过分析所得的热力学数据，同文献值相比较，推导出该类化合物在水溶液中可能存在的几何构型，为该类化合物在作为探针应用时提供理论依据。     

Sandwich-type transition metal complexes [(CBO)n]2M with carbon boronyl ligands (CBO)n (n=4–6)

A density functional theory investigation on a series of sandwich-type transition metal complexes [(CBO)_n]₂M (n=4–6; M=transition metals) with carbon boronyls (CBO)_n as effective aromatic ligands has been presented in this work at B3LYP level. The ground-states of these complexes possess staggered D_nd symmetries, while the corresponding eclipsed D_nh structures exist as transition states with slightly higher energies (within 5.8 kJ/mol). Carbon boronyl complexes [(CBO)_n]₂M are confirmed to be much more stable than their boron carbonyl isomers [(BCO)_n]₂M, which, on the other hand, take eclipsed ground-states with D_nh symmetries. The carbon boronyl complexes [(BCO)_n]₂M proposed in this work parallelize the well-known sandwich-type hydrocarbon complexes [C_nH_n]₂M in coordination chemistry with boronyl groups –BO isolobal to –H atoms in corresponding ligands.     

Designing a plano-convex aspheric lens for fiber optics collimator

A plano-convex aspheric lens is designed to collimate the emitted light of the fiber optics. In this paper even orders of general aspheres are used to describe the aspheric surfaces sag. To determine the aspheric coefficient, the even asphere polynomial are fitted on the computed sag data. The surface sag data is determined using genetic algorithm method. The surface sag was analyzed by the commercial optical software package ZEMAX. For typical fiber optics, the numerical aperture (NA) of 0.22 was assumed. With this specification, the expected output spot diagram of 20 mm and the maximum aperture of 25.4 mm have been obtained. A comparison between here presented lens and the similar type of conventional lens has been carried out; the proposed aspheric lens corrected the spherical aberration, which led to increase in the collimated distance.     

葡萄糖、果糖和蔗糖在甲酰胺溶液中的体积性质

报导了含葡萄糖、果糖和蔗糖的甲酰胺溶液的密度数据，无限稀释表观摩尔体积和体积第二维里系数．利用改进的定标粒子理论、基团几何模型和基团加合方法，求解了溶质的空腔生成体积，溶质-溶剂间的氢键作用对体积性质的影响，并和水溶液中的情况进行了比较．     

Review on Scale Dependent Characterization of the Microstructure of Porous Media

The paper discusses local porosity theory and its relation with other geometric characterization methods for porous media such as correlation functions and contact distributions. Special emphasis is placed on the charcterization of geometric observables through Hadwigers theorem in stochastic geometry. The four basic Minkowski functionals are introduced into local porosity theory, and for the first time a relationship is established between the Euler characteristic and the local percolation probabilities. Local porosity distributions and local percolation probabilities provide a scale dependent characterization of the microstructure of porous media that can be used in an effective medium approach to predict transport.     

A new tuning procedure for the DTL RF field pattern

The DTL tank is a multi-cell cavity.In a fabricated tank,the measured average axial field E0 for each cell may obviously deviate from the designed value.It is generally thought the deviation is due to the errors in fabrication and assembly.But it is not always true.In this paper,it is shown that the deviation may already exist before fabrication in some cases.It is partly due to the imperfection of the current design procedures.A new design method is introduced to reduce the deviation in the design stage.     

几何参数对喷射器性能的影响分析

运用计算流体动力学软件Fluent对喷射器进行数值模拟,研究了工作喷嘴喉部直径、等截面混合室直径和长度等几何参数对喷射器性能的影响,并对数值模拟结果进行了分析。研究表明:在一定的工况下,工作喷嘴及等截面混合室对喷射器性能有极大的影响,存在最佳的喉部和混合室直径使得喷射系数最大;随着混合室长度的增加,喷射器的喷射系数将逐渐降低。