A density-functional theory investigation on desorption of O2 on Sn（111） and its comparison with initial oxidation on the X（111） （X=Si,Ge, Sn,Pb） surfaces

<正>The first-principles calculations are performed to investigate the adsorption of O₂ molecules on an Sn（111） 2×2 surface.The chemisorbed adsorption precursor states for O₂ are identified to be along the parallel and vertical channels, and the surface reconstructions of Sn（lll） induced by oxygen adsorption are studied.Based on this,the adsorption behaviours of O₂ on X（111）（X=Si,Ge,Sn,Pb） surfaces are analysed,and the most stable adsorption channels of O₂ on X（111）（X=Si,Ge,Sn,Pb） are identified.The surface reconstructions and electron distributions along the most stable adsorption channels are discussed and compared.The results show that the O₂ adsorption ability declines gradually and the amount of charge transferred decreases with the enhancement of metallicity.     

The dynamic stress intensity factor analysis of adhesively bonded material interface crack with damage under shear loading

This paper studies the dynamic stress intensity factor (DSIF) at the interface in an adhesive joint under shear loading. Material damage is considered. By introducing the dislocation density function and using the integral transform, the problem is reduced to algebraic equations and can be solved with the collocation dots method in the Laplace domain. Time response of DSIF is calculated with the inverse Laplace integral transform. The results show that the mode Ⅱ DSIF increases with the shear relaxation parameter, shear module and Poisson ratio, while decreases with the swell relaxation parameter. Damage shielding only occurs at the initial stage of crack propagation. The singular index of crack tip is -0.5 and independent on the material parameters, damage conditions of materials, and time. The oscillatory index is controlled by viscoelastic material parameters.     

相关正态变量情况下基于自适应超球重要抽样的可靠性灵敏度分析的转换法

在将相关正态变量转换成独立正态变量的基础上,首先建立了基于Monte Carlo模拟的相关正态变量可靠性灵敏度分析的转换法,并对其可靠性灵敏度估计值作了方差分析.其次将Monte Carlo转换法与自适应超球重要抽样法相结合,建立了相关正态变量可靠性灵敏度分析的自适应超球重要抽样转换法.所建立方法利用抽样样本提供的信息,通过迭代逐步确定最优超球半径,极大地提高了算法的稳健性和效率.由于自适应超球重要抽样转换法融合了Monte Carlo法的普适稳健性和超球重要抽样的高效性,因此它对于高度非线性隐式极限状态方程、多个失效模式串、并及混联系统、多个最可能失效点问题均具有很强的适应性,算例结果充分证明了这些优点.     

屈服准则在有限元软件中实现的正确性验证

基于向后欧拉完全隐式积分方法,采用回映算法将Yld2000-2d屈服准则嵌入ABAQUS商业有限元软件.基于严格的力学推导,提出了能够有效验证屈服准则嵌入工作的正确性的方法.针对5754O铝合金板,采用上述方法验证了Yld2000-2d屈服准则在ABAQUS有限元软件中的嵌入工作的正确性.     

Electronic Structure Research on Lattice Stability of V,Nb, and Ta by Density Functional Theory

The difference of energy and electronic structure of V, Nb, and Ta in different crystalline structures were investigated by different methods in density functional theory (DFT). Latticeconstants, total energies, and densities of states of these metals were calculated using the plane-wave pseudopotential method in DFT. Results were compared with those of projector augmented wave method, CALPHAD method, and experiments. Total energy and electronic structure analyses showed that valence electrons mostly transferred from s to p or d state, changing obviously with both the crystal structure and the elemental period number from V to Ta and leading to stronger cohesion, higher cohesive energy and more stable lattice of heavier metals.     

用于高能轻粒子探测的延迟线PPAC(英文)

气体探测器有成本低廉、制备简单、性能可靠和方便使用等特点。研制了一种5层板结构的延迟线平行板雪崩电离室（PPAC）,用于兰州放射性束流线（RIBLL）上开展的实验。在57.6 MeV/u的6He束流条件下测试了这种探测器对高能轻粒子的适用性,得到了位置分辨为1.8 mm (FWHM), 时间分辨为2.6 ns, 以及可靠的探测效率。The gas detectors have the characteristics of low cost, easy preparation, reliable capability and convenient for use etc. A delay line parallel plate avalanche counter(PPAC) with five plates has been developed for the experiments at Radioactive Ion Beam Line in Lanzhou(RIBLL). The applicability of counter for high energy light ion has been tested with 57.6 MeV/u 6He beam. A position resolution of ~1.8 mm(FWHM) and a timing resolution of ~2.6 ns are achieved. The detection efficiency is reasonable.     

A generalized Collins formula derived by virtue of the displacement-squeezing related squeezed coherent state representation

Based on the displacement-squeezing related squeezed coherent state representation ≤ft\vert z\right\rangle _{g} and using the technique of integration within an ordered product of operators, this paper finds a generalized Fresnel operator, whose matrix element in the coordinate representation leads to a generalized Collins formula (Huygens--Fresnel integration transformation describing optical diffraction). The generalized Fresnel operator is derived by a quantum mechanical mapping from z to sz-rz^{\ast } in the % ≤ft\vert z\right\rangle _{g} representation, while ≤ft\vert z\right\rangle _{g} in phase space is graphically denoted by an ellipse.     

动静组合加载下花岗岩的力学性能

在霍普金森试验系统上进行了花岗岩动静组合加载试验,获得了花岗岩在动静组合加载下的力学性能.试验结果表明:当动载不变,改变静栽大小,在弹性范围内,花岗岩强度随着静载增大而增大;当静载超过弹性极限时,花岗岩强度迅速降低;在其破坏过程中对冲击能量的吸收随静载增大而减小;变形模量呈现明显的两段特征.当静载不变,改变动载大小,花岗岩的强度随动载增大而增大;变形模量先随动载增大而增大,而后又突然变小,并不出现两段特征;在其破坏过程中对冲击能量的吸收随动载应变率的增大而逐渐增大.所得结果为岩爆、深部破岩等研究提供实验依据.     

一种不完备测试数据下的结构损伤识别方法

在单元刚度损伤系数和振型扩阶的基础上,建立了单元的损伤控制方程,提出了一种不完备测试自由度下的损伤识别方法。该方法以单元刚度损伤系数作为识别量,通过计算结构损伤前后频率和振型的改变,然后利用控制方程反解出损伤系数,从而确定出结构损伤位置和大小。悬臂梁桁架结构的数值模拟表明,在一定的噪声水平下可以同时成功地识别出的损伤位置和程度,而且对噪声有较强的鲁棒性。     

A Ferroelectric Frequency-Doubling Material-Potassium Lithium Niobate

The potassium lithium niobate crystals have been grown up. The shapes of solid-melt interfaces which maintaining the steady growth of the potassium lithium niobate crystals have been described. The optical transmission spectrum of the crystal has been surveyed. The perfected crystals showed good Second Harmonic Generation properties.