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排序方式: 共有2307条查询结果,搜索用时 31 毫秒
1.
Q. Sun Q. Wang X.G. Gong V. Kumar Y. Kawazoe 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):77-81
We report results of the atomic and electronic structures of Al7C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is
found to be the one in which carbon atom occupies an interstitial position in Al7 cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al7C- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al7C- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al7N which has the same number of valence electrons as in Al7C- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al7N)2 to study interaction between magic clusters.
Received 28 July 2001 相似文献
2.
P. Adamson 《Optics & Laser Technology》2002,34(7):561-568
The differential reflection characteristics for ultrathin inhomogeneous dielectric film on absorbing substrate are investigated in the long-wavelength approximation. The obtained first-order expressions for differential reflectivity and changes in the ellipsometric angles caused by ultrathin layer are of immediate interest to the solution of the inverse problem. The method to determine the averaged values (not the realistic profile) of refractive index for inhomogeneous nanometric films are shown. The novel possibilities for determining the dielectric constant and thickness of nanoscale homogeneous films by the differential ellipsometric and reflectivity measurements are developed, and a simple method to estimate whether the nanometric film is homogeneous or not is also discussed. 相似文献
3.
复合体系方法测量液体力学谱 总被引:2,自引:0,他引:2
本文介绍了采用复合体系,测量得到凝聚态物质从固态到液态连续变化力学谱的一种新的实验方法。以簧振动为例,给出了解析的计算公式,以及应用条件。通过进一步综合分析,得到具有更广应用范围的近似公式,可以近似应用于其他不同的振动模式,如低频扭摆。应用新的测量方法,给出了典型小分子玻璃材料甘油和碳酸丙稀从玻璃态到液态的力学谱,观察到甘油和碳酸丙稀玻璃化转变、碳酸丙稀的再结晶、熔化和挥发的过程;测量得到挥发过程中水的质量随时间精确变化的曲线。最后,本文给出了新方法的一些应用展望。 相似文献
4.
A novel super-hydrophobic stearic acid (STA) film with a water contact angle of 166o was prepared by chemical adsorption on aluminum wafer coated with polyethyleneimine (PEI) film. The micro-tribological behavior
of the super-hydrophobic STA monolayer was compared with that of the polished and PEI-coated Al surfaces. The effect of relative
humidity on the adhesion and friction was investigated as well. It was found that the STA monolayer showed decreased friction,
while the adhesive force was greatly decreased by increasing the surface roughness of the Al wafer to reduce the contact area
between the atomic force microscope (AFM) tip and the sample surface to be tested. Thus the friction and adhesion of the Al
wafer was effectively decreased by generating the STA monolayer, which indicated that it could be feasible and rational to
prepare a surface with good adhesion resistance and lubricity by properly controlling the surface morphology and the chemical
composition. Both the adhesion and friction decreased as the relative humidity was lowered from 65% to 10%, though the decrease
extent became insignificant for the STA monolayer.
The project supported by the National Natural Science Foundation of China (50375151, 50323007, 10225209) and the Chinese Academy
of Sciences (KJCX-SW-L2) 相似文献
5.
6.
Xiao‐Dong Pan 《Journal of Polymer Science.Polymer Physics》2004,42(13):2467-2478
For properly chosen elastomer compounds, thermorheological characterization is combined with an examination of the variation of the wet sliding friction with temperature. A conceptual argument leads to the assumption that the wet sliding friction should maximize at the energy dissipation peak associated with the dynamic softening transition at a characteristic frequency determined by the sliding speed and the effective smallest surface asperity scale. The dynamic softening transition is characterized with the peak in tan δ/G′n, where tan δ is the loss tangent, G′ is the elastic modulus, and n is a constant between 0 and 1. The William–Landel–Ferry transform is uncritically applied for extrapolating the position of the peak in tan δ/G′n at high frequencies. Even based on the criterion of tan δ, the results obtained on a concrete surface indicate that the effective smallest asperity scale is of order of 100 μm. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2467–2478, 2004 相似文献
7.
用一个计算机控制的倒扭摆研究了快冷Fe71 Al2 9合金中的两个内耗峰 .在快冷的Fe71 Al2 9样品中分别在 180℃(P1 ) ,340℃ (P2 )和 5 10℃ (P3)出现了内耗峰 ,而在慢冷的Fe71 Al2 9样品中只发现了P3峰 .快冷样品中的P1 和P2峰在从 6 5 0℃冷却下来的测量过程中或在 35 0℃经过较长时间的时效后消失 ,其峰高随时效时间的增加而下降 ,直至消失 .P1 和P2 峰都有弛豫特征 ,它们的激活能分别为 :H1 =1.0 3± 0 .0 8eV(P1 峰 ) ;H2 =1.6 4± 0 .0 5eV(P2 峰 ) .P1 峰被认为是无序合金中Al原子在四面体点阵内的最近邻运动所引起 ,P2 峰则是无序合金中Al原子在四面体点阵内的次近邻运动所引起 相似文献
8.
Riad Hassani Patrick Hild Ioan Ionescu 《Mathematical Methods in the Applied Sciences》2004,27(1):47-67
We consider the Signorini problem with Coulomb friction in elasticity. Sufficient conditions of non‐uniqueness are obtained for the continuous model. These conditions are linked to the existence of real eigenvalues of an operator in a Hilbert space. We prove that, under appropriate conditions, real eigenvalues exist for a non‐local Coulomb friction model. Finite element approximation of the eigenvalue problem is considered and numerical experiments are performed. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
9.
10.
N. Nishi J. Nishijo K. Judai C. Okabe O. Oishi 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,43(1-3):287-290
UV photoexcitation of (t-butylethynyl copper)24
cluster films induces segregation of the crystals into metallic and organic
phases and leads to evolve the metallic sheets sandwiched by organic
polymers. The growth of the metallic crystals in the plane of the
photo-electromagnetic field is attributed due to plasmon-plasmon interaction
among nanoparticles embedded in dielectric polymer matrices. The surface
enhanced photochemical reaction of residual cluster molecules on the photon
incident direction is expected to take an important role for joining the
metal particles to produce a metallic sheet. We can apply this phenomenon
for photolithographic copper pattern generation on a flexible base plate. 相似文献