氢原子在Ru(0001)和Ru(1010)面上吸附扩散势能面的结构

本文构造了H-Ru相互作用的五参数Morse势,用经典的对势方法研究了氢原子在Ru(0001)和Ru(1010)面上的吸附和扩散,得到了氢原子在两个表面上的吸附位、吸附几何、结合能及本征振动等数据与实验结果符合得很好;同时研究了两个体系的吸附扩散势能面结构。     

Fracture of thick laminated composites

The fracture of thick laminated graphite/epoxy composites has been the subject of an extensive research program. The program was divided into three major areas of investigation which included laminate thickness, laminate stacking sequence, and part-through surface flaws. The results from this program are reviewed with emphasis placed on their applicability to the design of thick laminated composite structures. Paper was presented at 1985 SEM Spring Conference on Experimental Mechanics held in Las Vegas on June 9–14, 1985.     

Deformation experiments in the diamond-anvil cell: texture in copper to 30 GPa

The combination of the diamond-anvil cell, synchrotron x-ray diffraction in radial geometry and simultaneous Rietveld refinement with texture analysis allows us to quantitatively investigate the plastic deformation behaviour of materials at very high pressures. Our study of copper to 30?GPa shows in ideal experimental geometry a [110] fibre texture component, as is typical for axial compression of soft face centred cubic metals. Locally a plane strain texture develops which is energetically favoured (curling). A transition from compressional to plane strain/pure shear texture can be monitored by analysing individual images taken at different positions in the diamond cell.     

C64H6的结构和光谱的理论研究

本文用INDO系列方法研究了C64H6的结构与光谱, 表明C64H6有C2v和Cs两种稳定构型, 其中C2v构型能量较低, 讨论其加成及环加成产物对称性的规律并与13C NMR谱的实验结果相结合。计算了两种构型的电子光谱, 对电子跃迁进行了理论指认,并讨论了C64H6谱带红移的原因, 理论计算结果与实验事实基本吻合。     

二氧化硅悬浮体和水解聚丙烯酰胺体系的流变性

研究了二氧化硅悬浮体的流变性。在固体含量较少的情况下, 体系呈Newton型;固体含量达到一定程度以后, 产生三维结构, 为假塑性体系。三维结构的固体含量与pH值有关。实验证实, 在等电点(i,e, p)附近三维结构最为疏松。还研究了水解聚丙烯酰胺(HPAM)对悬浮体流变性能的影响。HPAM破坏了二氧化硅粒子聚集体结构, 呈絮凝体结构, 并出现触变性。当高聚物在固体表面覆盖一半时, 具有最大触变性和动剪切力。HPAM的水解度达到一定程度, 由于对固体粒子由“强”吸附转变为“弱”吸附, 固体粒子“屏蔽”了高分子间的相互作用, 出现了负触变性现象。在流动时粒子会脱附, 静止以后又产生吸附, 这种吸附与脱附是产生负触变性的主要原因。HPAM水解过度或用量过多, 均会减弱负触变性现象。     

Deformation textures produced in diamond anvil experiments, analysed in radial diffraction geometry

Diamond anvil cells may not only impose pressure upon a sample but also a compressive stress that produces elastic and plastic deformation of polycrystalline samples. The plastic deformation may result in texture development if the material deforms by slip or mechanical twinning, or if grains have a non-equiaxed shape. In radial diffraction geometry, texture is revealed by variation of intensity along Debye rings relative to the compression direction. Diffraction images (obtained by CCD or image plate) can be used to extract quantitative texture information. Currently the most elegant and powerful method is a modified Rietveld technique as implemented in the software package MAUD. From texture data one can evaluate the homogeneity of strain in a diamond anvil cell, the strain magnitude and deformation mechanisms, the latter by comparing observed texture patterns with results from polycrystal plasticity simulations. Some examples such as olivine, magnesiowuestite, MgSiO(3) perovskite and ε-iron are discussed.     

旋转回归分析在提高作物产量中的应用

本文根据旋转回归正交试验,深入研究探讨了不同肥量、密度条件下对小麦产量的影响。创建了小麦产量与种植密度、施肥量之间的回归模型。通过检验,肯定了模型的可靠性和应用的有效性。为农业生产起到了很好的指导作用。     

Hypersonic acoustic excitations in binary colloidal crystals: big versus small hard sphere control

The phononic band structure of two binary colloidal crystals, at hypersonic frequencies, is studied by means of Brillouin light scattering and analyzed in conjunction with corresponding dispersion diagrams of the single colloidal crystals of the constituent particles. Besides the acoustic band of the average medium, the authors' results show the existence of narrow bands originating from resonant multipole modes of the individual particles as well as Bragg-type modes due to the (short-range) periodicity. Strong interaction, leading to the occurrence of hybridization gaps, is observed between the acoustic band and the band of quadrupole modes of the particles that occupy the largest fractional volume of the mixed crystal; the effective radius is either that of the large (in the symmetric NaCl-type crystalline phase) or the small (in the asymmetric NaZn(13)-type crystalline phase) particles. The possibility to reveal a universal behavior of the phononic band structure for different single and binary colloidal crystalline suspensions, by representing in the dispersion diagrams reduced quantities using an appropriate length scale, is discussed.