Quantum Monte Carlo study of the CO interaction with a dimer model surface for Cr(110)

The chemisorption of CO on a Cr( 110) surface is investigated using the quantum Monte Carlo method in the diffusion Monte Carlo (DMC) variant and a model Cr2CO cluster. The present results are consistent with the earlier ab initio HF study with this model that showed the tilted/ near-parallel orientation as energetically favoured over the perpendicular arrangement. The DMC energy difference between the two orientations is larger (1.9 eV) than that computed in the previous study. The distribution and reorganization of electrons during CO adsorption on the model surface are analysed using the topological electron localization function method that yields electron populations, charge transfer and clear insight on the chemical bonding that occurs with CO adsorption and dissociation on the model surface.

激光破坏机理研究的一个新进展

当入射激光的波长、辐照时间、平匀功率密度保持相同的条件下,改变激光的时-空结构会产生不同的破坏模式.在上述激光基本参数不变时,如何合理选择激光的时空分布,以便达到最佳的破坏效果,这是激光破坏机理研究中的反问题.该文利用非高其空间分布激光辐照黄铜薄片材料,产生一种特殊的破坏模式——反冲塞效应,并对此进行了较系统的实验与理论分析,激光破坏反问题的提出和初步探索,是研究激光破坏机理的一个新概念和新进展.

1989年3月和8月太阳大事件的日地系统整体行为研究

<正> 1989年3月日面出现了近四十年来最大的黑子群,发生了剧烈的太阳活动,产生了重大的地球物理效应。对这些事件的联测取得了大量日地物理的资料。为了推动进一步的分析和研究,中国科学院第22周太阳活动峰年日地系统整体行为研究专家组于1990年4月23日至26日在北京召开了“1989年3月和8月重大日地事件观测与分析研

干摩擦控制振动的应用

<正> 干摩擦能衰减机械振动的现象早为人们所熟悉。但是很长一段时期,干摩擦应用到控制振动上的例子不多见。这是由于干摩擦的性能不好掌握和干摩擦会使系统变为非线性,设计、计算就很复杂。 干摩擦振动系统是非线性系统。以振动系统中的一个干摩擦接头来说明。当接头上的力

后柱横向振动串列双圆柱尾迹特性

本文采用电化学显示方法和热线技术就雷诺数为10~2—10~3,后柱横向振动串列双圓柱尾迹和涡街进行了研究。双柱间距为1.5≤s/d≤10,后柱振动振幅为0.1d和0.3d。首先,本文得到了低雷诺数情况下,串列双圆柱绕流旋涡脱落频率随柱间距和雷诺数的变化规律。并且,通过流谱分析,对于出现频率间断现象给予了说明。其次,本文着重研究了振动情况下尾迹特性。当后柱以静止双柱涡脱落频率强迫振动,涡脱落和柱振动之间将发生联锁反应。本文实验揭示了联锁区奇特的涡街流谱——二次涡、涡的聚集和涡街伸长。

十年来我国力学的发展

解放后的十年中,我国的力学在党的領导下已經逐漸成长起来。回顾一下我們所走过的道路,将成果与經驗加以总結,我們就会更有办法地使我国的力学迅速发展,在社会主义建設中起更大的作用。值此全国人民都在总路线的照耀下以实际行动来迎接伟大的国庆节十周年之际;特发表本文,以誌紀念。

三峡永久船闸高边坡开挖三维离散元数值模拟

采用面-面接触的三维离散元刚性块体模型，从实测节理面中取出其中的三组，按照其倾向、倾角和节理间距将三峡永久船闸未开挖的区域划分为10~5个离散单元，通过施加力边界条件，给出了与实测初始地应力场接近的数值模拟结果；然后，分4步模拟了永久船闸的开挖过程。计算结果表明：开挖过程会引起节理面出现张开趋势，个别岩体还会沿着节理面滑移。岩体位移的不对称现象较为自然地说明了由节理引起的岩体各向异性特征。

Numerical investigation of crack growth in concrete subjected to compression by the generalized beam lattice model

The beam lattice-type models, such as the Euler-Bernoulli (or Timoshenko) beam lattice and the generalized beam (GB) lattice, have been proved very effective in simulating failure processes in concrete and rock due to its simplicity and easy implementation. However, these existing lattice models only take into account tensile failures, so it may be not applicable to simulation of failure behaviors under compressive states. The main aim in this paper is to incorporate Mohr-Coulomb failure criterion, which is widely used in many kinds of materials, into the GB lattice procedure. The improved GB lattice procedure has the capability of modeling both element failures and contact/separation of cracked elements. The numerical examples show its effectiveness in simulating compressive failures. Furthermore, the influences of lateral confinement, friction angle, stiffness of loading platen, inclusion of aggregates on failure processes are respectively analyzed in detail.

Short-range-order effects on intrinsic plasticity of metallic glasses

Through a systematical analysis of the elastic moduli for 137 metallic glasses (MGs) and 56 polycrystalline metals, we use a simple model developed by Knuyt et al. [J. Phys. F: Met. Phys. 16 (1986) p.1989; Phil. Mag. B 64 (1991) p.299] based on a Gaussian distribution for the first-neighbor distance to reveal the short-range-order (SRO) structural conditions for plasticity of MGs. It is found that the SRO structure with dense atomic packing, large packing dispersion and a significant anharmonicity of atomic interaction within an MG is favorable for its global plasticity. Although these conditions seem paradoxical, their perfect matching is believed to be a key for designing large plastic bulk MGs not only in compression but also in tension.

Three-dimensional superresolution by three-zone complex pupil filters

Complex pupil filters are introduced to improve the three-dimensional resolving power of an optical imaging system. Through the design of the essential parameters of such filters, the transmittance and radius of the first zone, three-dimensional superresolution is realized. The Strehl ratio and the transverse and axial gains of such filters are analyzed in detail. A series of simulation examples of such filters are also presented that prove that three-dimensional superresolution can be realized. The advantage of such filters is that it is easy to realize three-dimensional superresolution, and the disadvantage is that the sidelobes of the axial intensity distribution are too high. But this can be overcome by the application of a confocal system. (C) 2005 Optical Society of America.

TeO2-ZnCl2-BaO-NaF玻璃系统的结构及中红外透过特性的研究

制备了一种新型的氧卤碲酸盐玻璃：（80-x）TeO2—15ZnCl2-xBaO-5NaF（x=30、20、10、0mol％），对玻璃的机械强度、热稳定性、拉曼光谱、紫外吸收光谱、红外透过光谱等特性进行了研究．通过拉曼光谱分析研究了玻璃组分含量的变化对玻璃结构和红外透过性能的影响．结果表明，随着BaO含量的增加，玻璃在红外波段透过率显著增加，并且红外透过截止波长向长波方向移动，本文对这一实验结果进行了机理性的研究探讨．同时，通过在熔制过程中通入高纯O2，以及引入适量的卤化物有效地除去玻璃中的[OH]基团，使

Crystal growth and spectroscopic characterization of Yb-doped and Yb, Na-codoped CaF2 laser crystals by TGT

High-quality 2at%-doped Yb:CaF2 and Yb,Na:CaF2 single crystals with diameter of 76mm were grown by the temperature gradient technique. For the first time, distribution coefficients (KO) of Yb in the two crystals were determined to be 1.07 and 0.91, respectively, by measuring the Yb concentrations at the growth starting position in the as-grown boules. Absorption and emission spectra of the two different crystals were measured at room temperature. Experimental results show that Na+ ions codoping with Yb3+ as charge compensators make Yb3+ ions in CaF2 lattice to be a quasi-single-center system, and greatly suppress the deoxidization of Yb3+ to Yb2+ (c) 2005 Elsevier B.V. All rights reserved.