Friction phenomena in a two-dimensional Frenkel-Kontorova model

By using the molecular dynamic simulation method with a fourth-order Runge--Kutta algorithm, a two-dimensional dc- and ac-driven Frenkel--Kontorova (FK) model with a square symmetry substrate potential for a square lattice layer has been investigated in this paper. For this system, the effects of many different parameters on the average velocity and the static friction force have been studied. It is found that not only the amplitude and frequency of ac-driven force, but also the direction of the external driving force and the misfit angle between two layers have some strong influences on the static friction force. It can be concluded that the superlubricity phenomenon appears easily with a larger ac amplitude and lower ac frequency for some special direction of the external force and misfit angle.     

KB scanning of X‐ray beam for Laue microdiffraction on accelero‐phobic samples: application to in situ mechanically loaded nanowires

A mapping technique has been developed where a sub‐micrometer focused polychromatic X‐ray beam is scanned across a stationary sample instead of scanning the sample in front of the X‐ray microbeam. This method is applied to a gold nanowire during its mechanical loading using the tip of an atomic force microscope. During the loading process, such a sample is `accelero‐phobic', i.e. the sample scanning stages must not to be moved to avoid parasitic additional load. Without beam scanning, only one single position within the sample can be probed during the test. The probed material point may even change because of drifts or movements induced by the test itself. The new scanning approach facilitates the in situ mapping of the entire wire giving access to the evolution of the wire shape as well as to the boundary conditions. This novel scanning technique opens promising perspectives for studies where sample motion is forbidden because of the sample environment.     

热拉伸和化学腐蚀相结合制备弯曲光纤探针

提出了原子力/光子扫描隧道显微镜(AF/PSTM)系统的关键部分——双功能弯曲光纤探针的制作方法.采用热拉伸与动态、静态两步化学腐蚀相结合的方法制作出AF/PSTM弯曲光纤探针，弯曲角度约为150°，尖端曲率半径优于100nm，锥角范围为60°—90°.将这种双功能弯曲光纤探针应用在新研制的AF/PSTM系统上，同时获得了样品的光学与形貌图像，实现了图像分解. 关键词： 原子力/光子扫描隧道显微镜 光纤探针 热拉伸 化学腐蚀     

Effect of micro-dimple patterns on capillary pull-off force and friction force of silicon surface

A microtribometer is used to measure and compare pull-off forces and friction forces exerted on (a) micro-dimpled silicon surfaces, (b) bare silicon surfaces, and (c) octadecyltrichlorosilane (OTS) treated silicon surfaces at different relative humidity (RH) levels separately. It is found that above a critical RH level, the capillary pull-off force increases abruptly and that the micro-dimple textured surface has a lower critical RH value as well as a higher pull-off force value than the other two surfaces. A micro topography parameter, namely sidewall area ratio, is found to play a major role in controlling the capillary pull-off force. Furthermore, micro-dimpled silicon surface is also proved to be not sensitive to variation in RH level, and can realize a stable and decreased friction coefficient compared with un-textured silicon surfaces. The reservoir-like function of micro dimples is considered to weaken or avoid the breakage effect of liquid bridges at different RH levels, thereby maintaining a stable frictional behaviour.     

扫描力显微术在高聚物薄膜玻璃化转变研究中的应用

简述了高聚物薄膜玻璃化转变的复杂性，并结合文章作者的的一些研究结果介绍了扫描力显微术(SFM)在研究高聚物玻璃化转变中的一些方法，包括观察高聚物薄膜形貌的变化，测量其摩擦力、粘附力和弹性模量等物理量的变化，最后指出SFM是研究高聚物薄膜玻璃化转变的有力工具。     

Observation of the V2O5(001) surface using ambient atomic force microscopy

Constant force images of the V₂O₅(001) surface were recorded in ambient conditions with atomic force microscopy. All images exhibit the 11.5 Å × 3.5 Å. periodicity expected for a bulk terminated surface. However, images reveal differences from the ideal structure. The experimental results are interpreted in terms of preferential adsorption sites for water molecules. Because these sites are thought to influence the catalytic properties of the surface, their characterization is an important step towards understanding how the atomic-scale structure of a surface influences its properties.     

Vibrational properties of graphene and graphene layers

The phonon dispersions of graphene and graphene layers are theoretically investigated within fifth‐nearest‐neighbor force‐constant approach. Based on their symmetry groups, the number of Raman‐ and infrared‐active modes at the Γ point is given. Interatomic force constants are recalculated by fitting them to experimental phonon energy dispersion curves. Wavenumbers of optically active modes are presented as a function of number of layers (n). Our calculated results reproduce well the experimental data of G peak for graphene (1587 cm⁻¹) and graphite (1581.6 cm⁻¹) and clearly give the relation that ω_G = 1581.6 + 11/(1 + n^1.6). Copyright © 2009 John Wiley & Sons, Ltd.     

Minimally corrected partial atomic charges for non-covalent electrostatic interactions

We develop a new scheme for determining molecular partial atomic charges (PACs) with external electrostatic potential (ESP) closely mimicking that of the molecule. The PACs are the ‘minimal corrections’ to a reference set of PACs necessary for reproducing exactly the tensor components of the Cartesian zero-, first- and second- molecular electrostatic multipoles. We evaluate the quality of ESP reproduction when ‘minimally correcting’ (MC) Mulliken, Hirshfeld or iterative-Hirshfeld reference PACs. In all these cases, the MC-PACs significantly improve the ESP while preserving the reference PACs’ invariance under the molecular symmetry operations. When iterative-Hirshfeld PACs are used as reference, the MC-PACs yield ESPs of comparable quality to those of the ChElPG charge fitting method.     

HL-2M极向场线圈电磁力的计算分析

在建的HL-2M装置的PF线圈采用了混合式结构。在放电过程中,线圈之间有很强的电磁耦合,每一个线圈都会受到很大电磁力的作用。采用解析法,在最大I_p=3MA等离子体电流和各种位形的放电条件下,计算分析了PF线圈受到的电磁力。这些计算结果对PF线圈及其支撑结构的设计都是具有参考价值的。     

HL-2M环向场线圈电磁场和受力的计算分析

在建的HL-2M装置的环向场线圈采用了比特板式结构,介绍了采用封闭多边形电流丝模型计算分析HL-2M装置环向场线圈电磁场和纹波情况;环向场线圈电流与环向场引起的电磁力以及与极向场产生的倾覆力也做了计算。计算结果对环向场线圈的设计具有一定的参考意义。