密肋壁板轻框结构有限元分析

根据密肋壁板轻框结构构造及受力特点 ,讨论了密肋复合墙板与轻型框架的协同工作问题 ,建立结构“刚架—平面复合子结构”有限元分析模型 。

非杆系钢筋混凝土结构配筋设计方法

针对当前非杆系钢筋混凝土结构配筋设计过程中“弹性应力图形法”无法对材料非线性特征、裂缝形态和钢筋应力等进行分析的不足,提出三维弹性有限元和二维非线性有限元方法相结合的复合型配筋设计方法。通过对复合型方法中“弹性应力等效原则”和“平面子结构理论”的研究,从理论上论证了复合型设计方法的可行性和合理性,给出了具体的技术路线和计算分析流程,并通过程序开发解决了三维弹性有限元计算结果和二维非线性有限元模型之间过渡环节数据管理和传递的问题。将此方法应用在龙滩导流隧洞进水口结构和苏通大桥桥墩承台结构配筋设计和优化中,对不同配筋情况下结构的裂缝形态、裂缝宽度、裂缝深度和钢筋应力等进行了深入研究,并以此得出了最优的配筋设计方案。

斜拉桥承台结构非线性有限元配筋设计研究

基于承载能力和裂缝控制双重因素，对斜拉桥承台结构进行了配筋设计研究。首先，对结构进行三维弹性有限元分析，结合拉应力图形配筋公式确定初步配筋方案；然后，利用平面子结构方法计算控制区裂缝宽度、深度和钢筋应力，对配筋方案进一步优化。结果表明，三维有限元结合平面子结构方法可以有效解决非杆系钢筋混凝土结构的配筋问题。

初始几何缺陷对非强支撑钢框架柱性能的影响

在钢框架二阶弹性分析中,结构整体初始几何缺陷和构件的初始几何缺陷是实际存在的,其影响不应忽略。基于由单根柱和梁组成的框架子结构模型,通过引入以上两种几何缺陷,得出了考虑初始几何缺陷影响的框架柱位移与内力的理论公式。利用该理论模型,可以较准确地分析框架结构整体几何缺陷与构件几何缺陷对二阶弹性弯矩的影响。参数分析结果表明:对于钢框架柱,结构的整体几何缺陷和构件几何缺陷对弯矩的影响均可以等效为作用于楼层处的假想水平力,而假想水平力的大小与作用于该楼层的竖向荷载有关。

初始几何缺陷对钢框架柱性能的影响(Ⅱ):参数分析

在钢框架二阶弹性分析中,结构整体初始几何缺陷和构件的初始几何缺陷是实际存在的,其影响不可忽略。通过平面子结构理论模型进行参数分析,结果证明,对于弱支撑钢框架柱,结构的整体几何缺陷和构件几何缺陷对弯矩的影响均可以等效为作用于楼层处的假想水平力,假想水平力是作用于该楼层的竖向荷载的函数。

初始几何缺陷对钢框架柱性能的影响(Ⅰ):理论模型

在钢框架二阶弹性分析中,结构整体初始几何缺陷和构件的初始几何缺陷是实际存在的,其影响不可忽略。因此在由单根柱和梁组成的平面子结构二阶弹性理论模型中,引入以上两种几何缺陷,得出了位移与内力的计算公式。利用该理论模型,可以考虑各参数对框架柱二阶效应的影响,并能系统分析框架结构整体几何缺陷与构件几何缺陷对二阶弹性弯矩的影响。

Structures and Electronic Properties of Cu_N (N≤13) Clusters

A systematic study on the structures and electronic properties of copper clusters has been performed using the density functional theory. In the calculation, there are many isomers near the ground state for small copper clusters. Our results show that the three-dimensional isomers of copper clusters start from Cu7 cluster and then show a tendency to form more compact structures. The results of the formation energy and the second derivative of binding energy with duster size show that besides N = 8, N =11 is also a magic number. Furthermore, it is the first time to find that the ground state of 11-atom clusters is a biplanar structure as same as the 13-atom cluster. The clear odd-even alternation as cluster size for the formation energy indicates the stability of electronic close shell existed in the range studied.

Structural and Bonding Properties of Al_(n)C_(4)^(−/0)(n=2−4)Clusters:Anion Photoelectron Spectroscopy and Theoretical Calculations

We measured the photoelectron spectra of Al_(n)C_(4)^(−)(n=2−4)clusters by using size-selected anion photoelectron spectroscopy.The structures of Al_(n)C_(4)^(−/0)(n=2−4)clusters were explored with quantum chemistry calculations and were determined by comparing the theoretical results with the experimental spectra.It is found that the most stable structure of Al_(2)C_(4)^(−) anion is a C_(2v)symmetry planar structure with two Al atoms interacting with two C_(2)units.In addition,Al_(2)C_(4)^(−) anion also has a D∞h symmetry linear structure with two Al atoms located at the two ends of a C_(4)chain,which is slightly higher in energy than the planar structure.The most stable structure of neutral Al_(2)C_(4)has a D∞h symmetry linear structure.The most stable structure of Al_(3)C_(4)^(−) anion is a planar structure with three Al atoms interacting with two C_(2)units.Whereas neutral Al_(3)C_(4)cluster has a C_(2v)symmetric V-shaped bent structure.The global minima structures of both Al_(4)C_(4)^(−) and neutral Al_(4)C_(4)are C_(2)h symmetry planar structures with four Al atoms interacting with the ends of two C_(2)units.Adaptive natural density partitioning analyses of Al_(n)C_(4)^(−)(n=2−4)clusters show that the interactions between the Al atoms and C_(2)units have bothσandπcharacters.

High-performance planar heterojunction perovskite solar cells： Preserving long charge carrier diffusion lengths and interracial engineering

We demonstrate that charge carrier diffusion lengths of two classes of perovskites, CH3NH3PbI3-xClx and CH3NH3PbI3, are both highly sensitive to film processing conditions and optimal processing procedures are critical to preserving the long carrier diffusion lengths of the perovskite films. This understanding, together with the improved cathode interface using bilayer-structured electron transporting interlayers of [6,6]-phenyl-C61-butyric acid methyl ester （PCBM）/ZnO, leads to the successful fabrication of highly efficient, stable and reproducible planar heterojunction CH3NH3PbI3-xCl2 solar cells with impressive power-conversion efficiencies （PCEs） up to 15.9%. A 1-square-centimeter device yielding a PCE of 12.3% has been realized, demonstrating that this simple planar structure is promising for large-area devices.

Density Functional Study of Cationic and Anionic Ag_mCu_n (m + n ≤ 5) Clusters

Abstract The structural and energetic properties of bimetallic AgmCun （m ＋n ≤ 5） in the cationic and anionic charged states have been investigated by density functional theory with relativistic effective core potentails. The stable cationic pentamers have three-dimensional structures in contrast to anionic clusters assume planar structures. For the given cluster size the electron affinities decrease as the Cu content increases, while no clear trend can be found in adiabatic ionization potentials. The binding energy per atom also increases with the increasing Cu content and follows the order anion 〈 cation. The most probable dissociation channels of the clusters considered are also discussed.

Photonic band structure of one-dimensional metal/dielectric structures calculated by the plane-wave expansion method

The plane-wave expansion(PWE) method is employed to calculate the photonic band structures of metal/dielectric(M/D) periodic systems. We consider a one-dimensional(1D) M/D superlattice with a metal layer characterized by a frequency-dependent dielectric function. To calculate the photonic band of such a system, we propose a new method and thus avoid solving the nonlinear eigenvalue equations. We obtained the frequency dispersions and the energy distributions of eigen-modes of 1D superlattices. This general method is applicable to calculate the photonic band of a broad class of physical systems, e.g. 2D and 3D M/D photonic crystals. For comparison, we present a simple introduction of the finite-difference(FD) method to calculate the same system, and the agreement turns out to be good. But the FD method cannot be applied to the TM modes of the M/D superlattice.

Formation of non-equilibrium phases and associated structural transition in the Pd-Ta system induced by ion beam mixing

For the Pd-Ta system characterized by a negative heat of formation of -78 kJ/mol, 200 keV xenon ion beam mixing with nano-sized Pd-Ta multilayered films was conducted to study the non-equilibrium phase formation. The results showed that uniform amorphous alloys can be formed within a composition range of 25 at%-78 at% Ta, which falls in the maximum possible amorphization range of 22 at%-80 at% Ta predicted by the empirical model. Moreover, two metastable crystalline phases both of FCC structure, yet with different lattice constants were obtained. Interestingly, a self-assembled fractal pattern was observed in the Pd52Ta48 multilayered films after irradiation to a dose of 1×1015 Xe+/cm2 and its dimension was determined to be 1.75±0.05. The possible mechanisms for the formation of amorphous and metastable crystalline phases as well as for the growth of the fractal pattern were discussed.